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41 SMILES Strings for Adenosine receptor A1/Alpha-2A adrenergic receptor

Compound NameSMILES String
BDBM21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
BDBM34572 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM85027 COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
BDBM50003018 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(=O)C1
BDBM50007835 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
BDBM50007836 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
BDBM50007839 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
BDBM50007842 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
BDBM50007843 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)|
BDBM50007844 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
BDBM50007850 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
BDBM50039676 CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50051653 C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1
BDBM50052880 [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50080286 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
BDBM50080287 Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1
BDBM50080288 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
BDBM50080289 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1
BDBM50080290 Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
BDBM50080291 Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1
BDBM50080292 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 |wU:9.8,wD:12.12,(7.76,-9.44,;6.22,-9.46,;5.3,-10.73,;3.85,-10.24,;2.5,-11.04,;1.17,-10.27,;1.17,-8.73,;2.5,-7.93,;2.48,-6.39,;1.15,-5.65,;-.16,-6.42,;-1.5,-5.65,;-1.5,-4.11,;-2.84,-3.34,;-.16,-3.34,;1.17,-4.09,;3.83,-8.7,;5.3,-8.22,;5.75,-6.75,;-.16,-11.04,;-.15,-12.55,;-1.5,-13.32,;-2.82,-12.55,;-2.82,-11.01,;-1.5,-10.24,)|
BDBM50095602 CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50120221 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2 |THB:25:30:36:34.33|
BDBM50120222 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
BDBM50120223 CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
BDBM50131359 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50131346 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131347 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131351 COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50421589 CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
BDBM50421590 CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21
BDBM50213345 CC1CN=C(Nc2ccc3nccnc3c2Br)N1 |t:3|
BDBM50213347 Ic1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM50213348 Clc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM50213350 Brc1c(NC2=NCCS2)ccc2nccnc12 |t:4|
BDBM50213351 Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 |t:9|
BDBM50213028 Brc1c(NC2=NCCN2)ccc2NCCNc12 |t:4|
BDBM50213029 C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|
BDBM50213343 Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
BDBM50213349 [H][C@]12CCCC[C@@]1([H])N=C(Nc1ccc3nccnc3c1Br)N2 |t:9|
BDBM50213344 Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|