198 SMILES Strings for Dual specificity mitogen-activated protein kinase kinase 4

Compound Name
SMILES String
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
OC(=O)c1cccc(c1)-c1n[nH]c2ccccc12
Cc1cccc2[nH]nc(-c3ccc(O)cc3)c12
Clc1cccc2[nH]nc(-c3ccc4OCOc4c3)c12
NC(=O)c1ccc(cc1)-c1n[nH]c2cccc(Cl)c12
Clc1cccc2[nH]nc(-c3cccnc3)c12
OCc1cccc(c1)-c1n[nH]c2cccc(Cl)c12
CC(C)(O)c1cccc(c1)-c1n[nH]c2cccc(Cl)c12
NC(=O)c1cccc(c1)-c1n[nH]c2cccc(Cl)c12
OCc1ccc(cc1)-c1n[nH]c2cccc(Cl)c12
Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F
CC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c2cc(ccc12)C(F)(F)F
CC(C)(C)OC(=O)n1nc(-c2cccc(c2)C(N)=O)c2cc(ccc12)C(F)(F)F
NC(=O)c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F
OC(=O)c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F
Cc1ccc2[nH]nc(-c3ccc(F)c(CO)c3)c2c1
Cc1ccc2[nH]nc(-c3ccc4OCOc4c3)c2c1
Cc1ccc2[nH]nc(-c3ccc(O)cc3)c2c1
Cc1ccc2[nH]nc(-c3ccc(cc3)C(N)=O)c2c1
Cc1ccc2[nH]nc(-c3ccc(cc3)C(O)=O)c2c1
Cc1ccc2[nH]nc(-c3cccnc3)c2c1
Cc1ccc2[nH]nc(-c3cccc(CO)c3)c2c1
Cc1ccc2[nH]nc(-c3cccc(c3)C(N)=O)c2c1
Cc1ccc2[nH]nc(-c3ccc(CO)cc3)c2c1
FC(F)(F)c1ccc2c(n[nH]c2c1)-c1ccc2OCOc2c1
COC(=O)c1ccc(cc1)-c1n[nH]c2cc(ccc12)C(F)(F)F
OC(=O)c1ccc(cc1)-c1n[nH]c2cc(ccc12)C(F)(F)F
Clc1ccc2c(n[nH]c2c1)-c1ccc2OCOc2c1
COC(=O)c1ccc(cc1)-c1n[nH]c2cc(Cl)ccc12
OC(=O)c1ccc(cc1)-c1n[nH]c2cc(Cl)ccc12
COC(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12
Fc1ccc2c(n[nH]c2c1)-c1ccc2OCOc2c1
OC(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
OC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(cc23)-c2ccc(cc2)S(N)(=O)=O)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(cc23)-c2ccc(cc2)S(=O)(=O)NC(C)=O)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Fc1c(NS(=O)(=O)Cc2ccccc2)cccc1C(=O)c1c[nH]c2ncc(cc12)-c1cc2OCCOc2cc1Cl
COc1ncc(cn1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
Fc1c(NS(=O)(=O)Cc2ccccc2)cccc1C(=O)c1c[nH]c2ncc(cc12)-c1cnc(nc1)C1CC1
Fc1ccc2c(n[nH]c2c1)-c1ccccc1
Nc1ccccc1-c1n[nH]c2cc(F)ccc12
CCC(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12
Fc1ccc2c(n[nH]c2c1)-c1ccccc1NC(=O)C=C
Fc1ccc2c(n[nH]c2c1)-c1ccccc1NC(=O)\C=C\CCl
CN(C)C\C=C\C(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12
Fc1ccc2c(NCc3ccc4OCOc4c3)n[nH]c2c1
Oc1cc(F)ccc1CNc1n[nH]c2cc(F)ccc12
Fc1ccc(CNc2n[nH]c3cc(F)ccc23)cc1
COc1ccc(CNc2n[nH]c3cc(F)ccc23)cc1
OC(=O)c1cccc(c1)-c1n[nH]c2cc(F)ccc12
Fc1ccc2c(n[nH]c2c1)-c1ccc(cc1)C(=O)C(F)(F)F
CS(=O)(=O)Nc1ccc(cc1)-c1n[nH]c2cc(F)ccc12
NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cc(F)ccc12
NS(=O)(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12
Fc1ccc2c(n[nH]c2c1)-c1ccc(NS(=O)(=O)c2cccnc2)cc1
Fc1ccc2c(n[nH]c2c1)-c1ccc(NS(=O)(=O)C2CCCCC2)cc1
Fc1ccc2c(n[nH]c2c1)-c1ccc(NS(=O)(=O)C2CC2)cc1
Fc1ccc2c(n[nH]c2c1)-c1cccc(NS(=O)(=O)c2cccnc2)c1
Fc1ccc2c(n[nH]c2c1)-c1cccc(NS(=O)(=O)C2CCCCC2)c1
Fc1ccc2c(n[nH]c2c1)-c1cccc(NS(=O)(=O)C2CC2)c1
Fc1ccc2c(n[nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Fc1ccc2c(n[nH]c2c1)-c1ccc(cc1)S(=O)(=O)NC1CCCCC1
Fc1ccc2c(n[nH]c2c1)-c1ccc(cc1)S(=O)(=O)NC1CC1
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccccc1
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)NC1CCCCC1
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)NC1CC1
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1cccnc1
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccc(Cl)cc1
Fc1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
COc1ccccc1NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cc(F)ccc12
Cc1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
COc1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
CC(C)Oc1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
CC(C)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C#N
CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
CC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
NC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
NC(=O)c1ccc2[nH]c3ncnc(-c4ccccc4)c3c2c1
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)|
NC(=O)C(=C/c1cccc(c1)-c1ncnc2[nH]ccc12)\C#N
CNc1cc(Oc2cccc(NC(=O)CCl)c2)ncn1
CNc1cc(Oc2cccc(NC(=O)C=C)c2)ncn1
ClCC(=O)Nc1cccc(Oc2cc(NCc3ccccc3)ncn2)c1
Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2cccc(CNc3n[nH]c4cccc(Cl)c34)c2)c(Cl)c1
O=C(C1CC1)N1CCC[C@@H](C1)Nc1nccc(n1)-n1c(CC#N)cnc1-c1ccc2ccccc2c1 |r|
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Nc1nc(cc(-c2cccc(NC(=O)C3CCC(=O)O3)c2)c1C#N)-c1ccccc1O
Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O
c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Nc1ccc(SC(=N)C(C#N)c2ccccc2C(F)(F)F)cc1
CC=NC#N |w:1.0|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5
c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F