181 SMILES Strings for Neuronal acetylcholine receptor subunit alpha-3
Compound Name
SMILES String
Brc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1 |r|
Brc1cc(cnc1Br)N1CC[C@H]2CN[C@H]2C1 |r|
Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|
Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1 |TLB:6:8:13.12:15.16,(17.84,-19.26,;16.66,-20.26,;15.15,-19.71,;13.93,-20.75,;14.21,-22.32,;12.98,-23.35,;11.48,-22.81,;11.19,-21.22,;10.25,-23.84,;10.63,-25.37,;9.59,-24.62,;8.15,-24.69,;8.06,-22.92,;8.71,-21.72,;8.78,-23.2,;7.43,-23.93,;7.12,-25.43,;15.72,-22.87,;16.95,-21.84,;18.39,-22.36,;18.66,-23.88,;19.57,-21.37,;21.02,-21.91,;22.19,-20.92,;21.93,-19.4,;20.47,-18.88,;19.3,-19.87,)|
Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r|
Brc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Brc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
Brc1ncc(cc1C#N)N1CC[C@H]2CN[C@H]2C1 |r|
Brc1ncc(cc1C#N)N1C[C@@H]2CCNC[C@H]12 |r|
Brc1ncc(cc1C#N)N1C[C@H]2CCNC[C@@H]12 |r|
C(Oc1cccnc1)C1CCN1
C(Oc1cccnc1)[C@@H]1CCN1 |r|
C(Oc1cccnc1)[C@H]1CCN1
C1CC2(CCN(C2)c2cccnc2)CN1
C1CC2(CCN(C2)c2cccnc2)N1
C1CNC2(C1)CCN(C2)c1cccnc1
C1C[C@@]23CN1CC[C@@H]2Oc1cccnc1C3
C1NC2CC1N(C2)c1cccnc1 |TLB:7:5:0.1:3|
C1NC2CN(CC12)c1cccnc1
C1N[C@@H]2CN(CC[C@H]12)c1cccnc1 |r|
C1N[C@H]2CN(CC[C@@H]12)c1cccnc1 |r|
C1[C@@H]2CCNC[C@@H]2N1c1cccnc1 |r|
C1[C@H]2CCNC[C@H]2N1c1cccnc1 |r|
CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8|
CC(=O)OCC[N+](C)(C)C
CC(C)C(=O)OCCC(C)N(C)C
CC(CCCC(=O)N(C)C)N(C)C
CC(CCNC(=O)N(C)C)N(C)C
CC(CCNC(=O)Nc1ccccc1)N(C)C
CC(CCOC(=O)C1CC1)N(C)C
CC(CCOC(=O)C1CCC1)N(C)C
CC(CCOC(=O)N(C)C)N(C)C
CC(CCOC(=O)N(C)CCO)N(C)C
CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
CC(CCOC(=O)N(C)c1ccc(Cl)cc1)N(C)C
CC(CCOC(=O)N(C)c1ccc(cc1)C#N)N(C)C
CC(CCOC(=O)N(C)c1ccccc1)N(C)C
CC(CCOC(=O)N1CC(C)(C)C1)N(C)C
CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
CC(CCOC(=O)N1CCC1(C)C)N(C)C
CC(CCOC(=O)N1CCC1)N(C)C
CC(CCOC(=O)N1CCC1C)N(C)C
CC(CCOC(=O)N1CCCC1)N(C)C
CC(CCOC(=O)N1CCCCC1)N(C)C
CC(CCOC(=O)NCCCc1ccccc1)N(C)C
CC(CCOC(=O)NCCO)N(C)C
CC(CCOC(=O)c1ccccc1)N(C)C
CC(CCOC(=O)n1cccc1)N(C)C
CC(CCOC(=S)N(C)C)N(C)C
CC(CCOC(C)=O)N(C)C
CC(CCOC(N)=O)N(C)C
CC(CCSC(=O)N(C)C)N(C)C
CC(C\C=C\C(=O)N(C)C)N(C)C
CCCNC(=O)OCCC(C)N(C)C
CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)|
CCNC(=O)OCCC(C)N(C)C
CCOc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
CCOc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
CN(C)C(CCOC(=O)N(C)C)C1CC1
CN(C)C(CCOC(=O)N(C)C)c1ccccc1
CN(C)C(CCOC(=O)N(C)C)c1ccsc1
CN(C)C(CO)CCOC(=O)N(C)C
CN(Cc1cc(no1)-c1ccccc1Cl)C(=O)C1CCNCC1
CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1 |TLB:8:6:3.4:1|
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
CN1CCCC1c1cccnc1
CN1CCC[C@@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r|
CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r|
CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r|
CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccnc(F)c1 |r|
CN1CCC[C@H]1c1cccnc1 |r|
CN1CC[C@H]1COc1ccc(Cl)nc1
CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccc(F)n1 |r,TLB:8:6:3.4:1|
CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccnc1F |r,TLB:8:6:3.4:1|
CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1|
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
CNC(=O)OCCC(C)N(C)C
CNC(=O)\C=C\CC(C)N(C)C
CNC(C)Cc1ccc2OCOc2c1
CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6|
COC(=O)Nc1ccc(Cl)c(Cl)c1
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
COC(=O)c1cc2c(CCN3CCC4=C[C@@H]5OCO[C@@H]5C[C@]234)cc1OC |r,t:13|
CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11|
CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |r,t:4,11|
CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 |t:4,11|
COc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1 |r|
COc1cc(cnc1Br)N1CC[C@H]2CN[C@H]2C1 |r|
COc1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r|
COc1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12 |r|
COc1cc2CCN3CCC4=C[C@@H]5OCO[C@@H]5C[C@]34c2cc1C(N)=O |r,t:10|
COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
COc1ccc(cc1)-c1cc(NC(=O)C(C)CCCN2CCCN(CC2)C(C)=O)[nH]n1
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCCC2)[nH]n1
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCN(CC2)C(C)=O)[nH]n1
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCOCC2)[nH]n1
COc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCOCC2)[nH]n1
COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCC2)[nH]n1
COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1
COc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
COc1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
COc1ccccc1-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
COc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
COc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
COc1cncc(c1)N1C[C@@H]2CCNC[C@H]12 |r|
COc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r|
CSCCC(N)C(O)=O
C[C@@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
C[N+](C)(C)CCCCCC[N+](C)(C)C
C[N+](C)(C)CCO
C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
C[N+](C)(C)CCOC(N)=O
C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5|
C[N+]1(C)CCN(CC1)c1ccccc1
Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(25.56,-5.32,;24.16,-4.82,;22.98,-5.81,;21.53,-5.28,;20.35,-6.28,;18.89,-5.75,;18.62,-4.22,;17.71,-6.74,;18.08,-8.22,;17.08,-7.5,;15.69,-7.57,;15.61,-5.86,;16.23,-4.7,;16.3,-6.12,;15,-6.83,;14.7,-8.27,;21.26,-3.76,;22.43,-2.77,;23.89,-3.29,;25.02,-2.34,)|
Cc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1 |r|
Cc1cc(cnc1Cl)N1CC[C@H]2CN[C@H]2C1 |r|
Cc1cc(cnc1Cl)N1C[C@@H]2CCNC[C@H]12 |r|
Cc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12 |r|
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1
Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)|
Clc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1 |r|
Clc1cc(cnc1Cl)N1CC[C@H]2CN[C@H]2C1 |r|
Clc1cc(cnc1Cl)N1C[C@@H]2CCNC[C@H]12 |r|
Clc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12 |r|
Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(35.17,-37.92,;33.99,-38.92,;34.26,-40.44,;33.08,-41.43,;31.63,-40.9,;30.45,-41.9,;29,-41.37,;28.73,-39.85,;27.82,-42.37,;28.18,-43.84,;27.18,-43.12,;25.79,-43.19,;25.72,-41.48,;26.33,-40.32,;26.4,-41.74,;25.1,-42.45,;24.8,-43.89,;31.35,-39.39,;32.53,-38.39,)|
Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1Cl |TLB:6:8:13.12:15.16,(13.61,-10.33,;12.48,-11.28,;11.02,-10.76,;9.84,-11.76,;10.12,-13.27,;8.94,-14.27,;7.48,-13.74,;7.21,-12.22,;6.3,-14.73,;6.67,-16.21,;5.67,-15.49,;4.28,-15.56,;4.2,-13.85,;4.82,-12.69,;4.89,-14.11,;3.59,-14.82,;3.29,-16.26,;11.57,-13.8,;12.75,-12.81,;14.14,-13.31,)|
Clc1ccc(OC[C@@H]2CCCN2)cn1
Clc1ccc(OC[C@H]2CCCN2)cn1
Clc1ccc(OC[C@H]2CCN2)cn1 |r|
Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r|
Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Clc1ccc(cn1)N1CCC2(CCCN2)C1
Clc1ccc(cn1)N1CCC2(CCN2)C1
Clc1ccc(cn1)N1CCC2(CCNC2)C1
Clc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Clc1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
Clc1ccc(cn1)N1C[C@@H]2CCNC[C@H]12 |r|
Clc1ccc(cn1)N1C[C@H]2CCNC[C@@H]12 |r|
Clc1ccccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r|
Fc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Cl |TLB:5:7:12.11:14.15,(25.98,-13.32,;24.59,-12.82,;23.41,-13.81,;21.96,-13.28,;20.77,-14.27,;19.32,-13.75,;19.05,-12.22,;18.14,-14.74,;18.5,-16.22,;17.5,-15.49,;16.12,-15.57,;16.04,-13.86,;16.66,-12.7,;16.73,-14.12,;15.43,-14.83,;15.12,-16.27,;21.68,-11.76,;22.86,-10.77,;24.32,-11.29,;25.45,-10.34,)|
Fc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Fc1ncccc1OC[C@@H]1CCN1
Fc1ncccc1OC[C@@H]1CCN1 |r|
Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Ic1cncc(OC[C@@H]2CCN2)c1
N#Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
N#Cc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
N#Cc1cncc(c1)N1C[C@@H]2CCNC[C@H]12 |r|
N#Cc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r|
NC(=O)c1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r|
NC(=O)c1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12 |r|
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
NC(CCS)C(O)=O
NC(CS(O)(=O)=O)C(O)=O
NC(CS(O)=O)C(O)=O
NC(CS)C(O)=O
NC(CSSCC(N)C(O)=O)C(O)=O
NC1=NCCN1Cc1ccc(Cl)nc1 |t:1|
N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1
O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2 |TLB:1:13:18.17:20.21,(26.32,-21.11,;26.59,-22.64,;28.05,-23.16,;29.23,-22.17,;28.95,-20.65,;30.13,-19.66,;31.59,-20.18,;32.76,-19.19,;34.21,-19.71,;34.49,-21.24,;33.3,-22.23,;31.85,-21.7,;30.68,-22.7,;25.41,-23.63,;25.78,-25.11,;24.78,-24.38,;23.39,-24.45,;23.31,-22.75,;23.93,-21.59,;24,-23.01,;22.7,-23.71,;22.4,-25.16,)|
O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|
O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12
ONC(=N)c1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
[O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|
[O-][N+](=O)\C=C1\NCCCN1Cc1ccc(Cl)nc1
[O-][N+](=O)c1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
[O-][N+](=O)c1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|