143 SMILES Strings for High affinity choline transporter 1

Compound Name
SMILES String
CC(NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1
Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cnc3ccccc3n2)c(Cl)c1
O=C(NC1CCCCC1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC1CCc2ccccc12
Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(Cl)c1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCC1=CCCCC1 |t:25|
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)c(C)s1
CCc1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)on1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1cnccn1
CCCN1CCC(CC1)Oc1cccc(c1)C(=O)NCCc1ccccc1
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)nc(C)n1
CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1 |(3.08,-8.09,;4.41,-7.32,;4.41,-5.78,;5.75,-5.01,;7.08,-5.78,;7.08,-7.32,;5.75,-8.09,;8.41,-5.01,;8.41,-3.47,;7.08,-2.7,;9.75,-2.7,;11.08,-3.47,;12.42,-2.7,;12.42,-1.16,;11.08,-.39,;9.75,-1.16,;11.08,1.16,;12.62,1.16,;9.54,1.16,;11.08,2.7,;12.42,3.47,;12.42,5.01,;11.08,5.78,;11.08,7.32,;12.42,8.09,;13.75,7.32,;13.75,5.78,)|
Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)NC2=NCCCCC2)c(Cl)c1 |t:19|
CC1CCC(CC1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCN(C)CC1 |(3.08,-7.7,;4.41,-6.93,;5.75,-7.7,;7.08,-6.93,;7.08,-5.39,;5.75,-4.62,;4.41,-5.39,;8.41,-4.62,;8.41,-3.08,;7.08,-2.31,;9.75,-2.31,;11.08,-3.08,;12.42,-2.31,;12.42,-.77,;11.08,,;9.75,-.77,;11.08,1.54,;12.62,1.54,;9.54,1.54,;11.08,3.08,;12.42,3.85,;12.42,5.39,;11.08,6.16,;11.08,7.7,;9.75,5.39,;9.75,3.85,)|
C(Nc1nc(nc2ccccc12)N1CCCCC1)c1ccco1
COC(=O)CCC(=O)Nc1sc2CCCCc2c1C#N
COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2cc(N)ccc12
COc1ccc(OC)c(NS(=O)(=O)c2ccc(cc2)N2CCCC2=O)c1
CCCCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:15.16,t:18|
CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)c1cccnc1
Fc1ccc(cc1)C(N(CC1CCCO1)Cc1ccco1)c1nnnn1C1CCCC1
CCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12
O=C(Cc1cccs1)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCCC1
COc1ccc(cc1)-c1nnc(SC(C)C(=O)NCc2ccc3OCOc3c2)n1Cc1ccco1
CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)N1CCc2ccccc2C1
CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1 |t:2|
Brc1ccc(OCC=C)c(CNCCCN2CCOCC2)c1
CC(N(CCC(C1CCOC(C)(C)C1)c1ccccc1)C(=O)c1ccco1)c1ccccc1
CC(C)c1ccc(\C=C\C(=O)NCCCc2ccccc2)cc1
Cc1cc(C=NNC(N)=S)c(C)n1-c1ccc(C)cc1 |w:5.5|
Cc1nn(c(Cl)c1CN(C(=O)CCl)c1cccc2ccccc12)-c1ccccc1
CCOc1ccc(cc1)-c1c[n+]2CCCCCc2n1-c1ccccc1
CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1
CCC1=[N+](CC(=O)c2ccc(C)cc2)CCn2c(C)ccc12 |c:2|
CCN(CC)S(=O)(=O)c1cnccc1N1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(c1)C(=O)NCCCN1CCN(CCCNC(=O)c2cccc(Cl)c2)CC1
COc1ccc(cc1Cl)N1C(SCC(=O)N(C(C)C)C(C)C)=N\C(=C\c2ccco2)C1=O |c:22|
CC(C)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1ccccc1Cl
CC(C)COP(=O)(OCC(C)C)C(Nc1ccccc1)c1ccc(F)cc1
COC(=O)c1ccc(cc1)C(NC(=O)OCc1ccccc1)C(\C)=C\[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1
CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CC1CCO
CCN(CC)CCn1c2ccccc2n(CC(O)COc2cccc(C)c2)c1=N
CCOC(=O)c1ccc(NC(=O)Nc2ccon2)cc1
Clc1cccc(CN2C[C@@H]3C[C@H](N4CCC[C@@]34C2=O)c2cccn2-c2ccccn2)c1
FC(F)(F)c1cccc(c1)C(=O)C1CCCN(Cc2cccn2-c2ncccn2)C1
CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(cc1F)C#N
COc1ccc(cc1)S(=O)(=O)N1C(C)COc2ccccc12
COc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:20|
Oc1ccc(C[C@@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:19|
CCCCc1n(CC(=O)c2ccc(Cl)cc2)c2ccccc2[n+]1C
COc1cc2CCN(C(c3cccs3)c2cc1OC)C(=S)NC(C)C
COc1ccc(cc1)C(CCNCc1ccc(OC)c(OC)c1)c1ccc(F)cc1
COc1ccc(cc1)-c1c[n+]2CCCCCc2n1-c1ccc(C)cc1
C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc(c1)[N+]([O-])=O |c:3|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NCc1cc(Br)ccc1OCC(N)=O |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
COc1ccc(CN2CCc3c(C2)[nH]c2ccccc32)c(OC)c1C
CCOC(=O)c1sc(NC(=O)Cc2ccccc2OC)nc1C
CCCCCCCCC1=NCCc2c1[nH]c1ccccc21 |t:8|
CCCCNC(=O)COCc1cc(on1)-c1ccc2OCOc2c1
Cc1ccccc1OCC(O)CNC1CCC(CC1)NCC(O)COc1ccccc1C |(4.41,-6.16,;4.41,-7.7,;3.08,-8.47,;3.08,-10.01,;4.41,-10.78,;5.75,-10.01,;5.75,-8.47,;7.08,-7.7,;7.08,-6.16,;8.41,-5.39,;9.75,-6.16,;8.41,-3.85,;9.75,-3.08,;9.75,-1.54,;8.41,-.77,;8.41,.77,;9.75,1.54,;11.08,.77,;11.08,-.77,;9.75,3.08,;11.08,3.85,;11.08,5.39,;9.75,6.16,;12.42,6.16,;12.42,7.7,;13.75,8.47,;13.75,10.01,;15.08,10.78,;16.42,10.01,;16.42,8.47,;15.08,7.7,;15.08,6.16,)|
C(c1ccccc1)n1c[n+](Cc2ccccc2)c2ccccc12
CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |c:7|
CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1cccnc1)c1ccccc1)C(=O)OC |c:7|
CSc1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccccc1
CCc1ccc(Nc2n[n+](c(s2)-c2ccc(SC)cc2)-c2ccccc2)cc1
COc1ccc(C)cc1Nc1n[n+](c(s1)-c1ccc(SC)cc1)-c1ccccc1
CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OC)c(Br)c2)-c2ccccc2)cc1
COc1ccc(C)cc1Nc1n[n+](c(s1)-c1ccc(OC)c(OC)c1OC)-c1ccccc1
CC(Oc1ccccc1)C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |t:15|
CN(Cc1cccc(F)c1)C(=O)c1ccccc1Sc1ccccc1C#N
CN(Cc1ccc(F)cc1)C(=O)c1sccc1-c1ccccc1
CCOC(=O)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
CCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCCN(C2)C(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(nc2ccccc12)-c1ccncc1
[O-][N+](=O)c1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(Cl)c1
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
OCC[N+]1(CC1)C1CC1
CC[N+]1(CCO)CC1
CC(C)C[N+]1(CCO)CC1
CC(C)[N+]1(CCO)CC1
CCC[N+]1(CCO)CC1
C[N+](C)(C)CCO
CCCC[N+]1(CCO)CC1
C[N+]1(C)CCO[C@](O)(C1)c1ccc(cc1)-c1ccc(cc1)[C@@]1(O)C[N+](C)(C)CCO1 |r|
C[N+](C)(C)c1ccccc1
C[N+](C)(C)CCCO
C[N+](C)(C)CCCCO
CN(C)CCCO
CC(=O)OCCC[N+](C)(C)C
COC(=O)CC[N+](C)(C)C
CCOC(=O)CC[N+](C)(C)C
CC[N+](CC)(CC)CC
CCCC[N+](CCCC)(CCCC)CCCC
COc1cc(cc(OC)c1OC)C#CCC[N+](C)(C)C
COc1cc(cc(OC)c1OC)C#CCC[N+]12CCC(CC1)C2
COc1cc(cc(OC)c1OC)C#CCC[N+]12CCC(CC1)CC2
CC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1
CCCCCCCCCCCCCCCC[n+]1ccccc1
c1cncc(c1N)N
C[N+]12CCC(CC1)CC2
C1CN2CCC1CC2
CC1C(O)C2CC[N+]1(C)CC2 |TLB:0:1:6.5:9.10,THB:3:2:6.5:9.10,(7.89,-10.07,;8.66,-8.7,;8.46,-7.29,;7.09,-6.52,;9.96,-6.64,;11.34,-7.26,;11.62,-8.68,;10.22,-8.03,;10.17,-9.6,;10.49,-6.09,;10.03,-4.96,)|
C[N+](C)(C)C
Nc1ccncc1
C(CO)N
C[n+]1cccc(c1)C(=O)N
CC[N+](CC)(CC)CCC#Cc1cc(OC)c(OC)c(OC)c1
CCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1
C[N@@]1CCC[C@H]1c2cccnc2
OCC[N+]12CCC(CC1)CC2
CCCCCCCC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCCC1
Cc1cc(C)nc(C)c1
C[N+]12CCC(CC1)C(=O)C2 |TLB:8:7:2.3:6.5,(9,-9.87,;9.05,-8.27,;9.32,-6.3,;8.86,-5.15,;8.78,-6.85,;7.26,-7.52,;7.46,-8.95,;10.19,-7.48,;11.34,-6.56,;10.48,-8.92,)|
C[N+]12CCC(O)(CC1)CC2
OC1CN2CCC1CC2 |THB:0:1:7.8:5.4,(6.92,.2,;7.84,-.7,;6.97,-1.64,;7.02,-3.14,;8.8,-4.11,;9.62,-2.84,;7.9,-1.89,;6.04,-2.81,;5.27,-4.16,)|
CN(C)CCO
CC[N+]1(CCC#Cc2cc(OC)c(OC)c(OC)c2)CCCC1
C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Cn1c2OCC\C=C/CCCCOc3ccccc3-c1cn2 |c:6|
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1nc(C)cs1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1csc(C)n1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(C)n(C)n1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C
CCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)c1C
CCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)cn1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCN1CCCC1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1
CC(C)c1cc(on1)CNC(=O)c2ccc(c(c2)OC3CCN(CC3)C)OC
COc1ccc(cc1OC1CCCN(C)C1)C(=O)NCc1cc(no1)C(C)C
COc1ccc(cc1OCCN1CCCCC1)C(=O)NCc1cc(no1)C(C)C
COc1ccc(cc1OCCN1CCOCC1)C(=O)NCc1cc(no1)C(C)C
CC(C)N1CCC(CC1)Oc1cccc(c1)C(=O)NCc1cc(no1)C(C)C
CC(C)c1cc(CNC(=O)c2ccc(c(OC3CCN(C)CC3)c2)C(F)(F)F)on1
CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1
CC(C)c1cc(CNC(=O)c2cccc(OC3CCN(C)CC3)c2)on1
CC(C)c1cc(CNC(=O)c2ccc(C#N)c(OC3CCN(C)CC3)c2)on1
CC(C)c1cc(CNC(=O)c2ccc(F)c(OC3CCN(C)CC3)c2)on1