Compound List
| Compound | Smiles | Mol |
|---|---|---|
|
C702
|
OC1(CNCc2ccn[nH]2)CCOC1 |
|
|
C704
|
CC1(CNCc2ccn[nH]2)CCOC1 |
|
|
C706
|
OC1COCC1CNCc1ccn[nH]1 |
|
|
C708
|
O=C(CCCn1cccc1)NCc1ccc(-n2ccnc2)nc1 |
|
|
C709
|
CCn1cnc(-n2cccc2)c1 |
|
|
C710
|
O=C(NCc1ccn[nH]1)C1CCOC1 |
|
|
C711
|
CC(C)(CNS(=O)(=O)c1ccn[nH]1)C1(O)CCOC1 |
|
|
C718
|
O=C(CSCc1ncc[nH]1)NCCCCCN1CCCC1 |
|
|
C719
|
C=C(Cn1ccnc1)C(=O)NC(CO)Cc1cccnc1 |
|
|
C722
|
CC(OCC1CCCO1)C(=O)OCc1[nH]cnc1C(F)(F)F |
|
|
C723
|
c1cncc(-c2nnc(-c3ccnc(-n4ccnc4)c3)o2)c1 |
|
|
C724
|
O=C(CCCn1ccnc1)NC(CO)C(O)c1cccnc1 |
|
|
C725
|
CC(Cc1cnc[nH]1)C(=O)NCc1nnc(N2CCCC2)o1 |
|
|
C726
|
Cc1cncn1CC(=O)NC(CCNC(=O)c1cccnc1)C(C)C |
|
|
C727
|
O=C(Cc1cccnc1)NCC(O)CNCc1cscn1 |
|
|
C728
|
Cc1nc(CNCC(O)CNC(=O)Cc2cccnc2)cs1 |
|
|
C730
|
c1ccc2c(CN3CCCC(c4ccn[nH]4)C3)nccc2c1 |
|
|
C732
|
CCC(NC(=O)Nc1ccc(OC(F)F)cn1)C1CCCO1 |
|
|
C733
|
O=C(NC1CCC12CNC2)c1ccc(-c2ccncc2)nc1 |
|
|
C735
|
CC(CC(=O)Nc1cn[nH]c1C#N)C1CCCO1 |
|
|
C737
|
Cn1cc(C(=O)CNC(=O)C2CCCO2)cn1 |
|
|
C739
|
CC(C)(NCc1ccnn1C1CCCC1)C1CCCO1 |
|
|
C740
|
O=C(NCC1CCCO1)c1ccn(C2CCCC2)n1 |
|
|
C741
|
O=S(=O)(NCC1CCCO1)c1ccnn1C1CCCC1 |
|
|
C743
|
O=S(=O)(NCC1CCCO1)c1cnn(C2CCCC2)c1 |
|
|
C745
|
Clc1cc(NCc2ccn[nH]2)ccn1 |
|
|
C746
|
Fc1cnccc1NCc1ccn[nH]1 |
|
|
C747
|
C=CCNC(=O)c1ccc(N2CCC(c3ccn[nH]3)C2)nc1 |
|
|
C748
|
Clc1ccc(N2CCC(c3ccn[nH]3)C2)nc1 |
|
|
C749
|
CNS(=O)(=O)c1ccc(N2CCC(c3ccn[nH]3)C2)nc1 |
|
|
C750
|
CS(=N)(=O)c1ccc(N2CCC(c3ccn[nH]3)C2)nc1 |
|
|
C751
|
OCc1ccnc(N2CCC(c3ccn[nH]3)C2)c1 |
|
|
C752
|
CS(=O)(=O)c1ccc(N2CCC(c3ccn[nH]3)C2)nc1 |
|
|
C753
|
c1cc(C2CCN(c3ccc(C4CC4)cn3)C2)[nH]n1 |
|
|
C754
|
N#Cc1ccc(OCCNC(=O)CCc2nccs2)nc1 |
|
|
C755
|
[O-][S+](CCC1CCCNC1)C1CCOC1 |
|
|
C756
|
COC(=O)c1[nH]c(C(C)C)cc1-c1cn[nH]c1 |
|
|
C757
|
O=C(O)C1(CCc2ccccn2)CCOC1 |
|
|
C759
|
CC(=Cc1ccccn1)C(=O)N(C)C1(C(=O)O)CCOC1 |
|
|
C760
|
O=C(c1ccncc1)c1c[nH]c(C(=O)O)c1 |
|
|
C761
|
CC(NCc1nc(Br)c[nH]1)c1cncs1 |
|
|
C762
|
Cc1cnc(CNC(C)c2cncs2)[nH]1 |
|
|
C763
|
CCC1(CNc2ccccn2)CCCO1 |
|
|
C764
|
CC(CNC(=O)Cc1cncs1)CNC(=O)Cc1cncn1C |
|
|
C765
|
COCCN(Cc1cncs1)C(=O)Cn1cnc(C(=O)O)c1 |
|
|
C766
|
CC(c1noc(-c2ccccn2)n1)C1CCCO1 |
|
|
C767
|
CC(C)c1[nH]ccc1C(=O)NCCN(CCO)C(=O)c1ccncc1 |
|
|
C768
|
CC(F)(F)CCSCc1csc(-c2ccccn2)n1 |
|
|
C770
|
CCC1OCCC1NC(=O)NCc1ccccn1 |
|
|
C771
|
CCN(CCNC(=O)c1ccncc1)C(=O)c1cc[nH]c1C(C)C |
|
|
C772
|
O=C(NOc1ccccc1)c1csc(-c2ccccn2)n1 |
|
|
C773
|
CC(C)CCc1ccc(NC(=O)NCC(C)c2ccncc2)nc1 |
|
|
C774
|
Cc1cnccc1NCc1cncs1 |
|
|
C775
|
CNc1ccnc(NCc2cncs2)c1 |
|
|
C776
|
Nc1cnccc1NCc1cncs1 |
|
|
C778
|
NNc1cc(NCc2cncs2)ccn1 |
|
|
C779
|
CC(C)C(CNC(=O)Cc1ccc[nH]1)NC(=O)c1ccncc1 |
|
|
C780
|
Cc1ccnc(NC(=O)NCC(C)c2ccccn2)c1 |
|
|
C781
|
NC(Cc1cncs1)c1ccc(Cl)cn1 |
|
|
C782
|
COCCNC(=O)CN(C)c1ccc(-c2ccncc2)cn1 |
|
|
C783
|
O=C(O)c1cc(S(=O)(=O)NCc2nccs2)c[nH]1 |
|
|
C784
|
O=C1CN(c2nc(C3CCOC3)ns2)CCN1c1cccnc1 |
|
|
C785
|
CC(=O)NCCC(C)NC(=O)c1csc(-c2ccccn2)n1 |
|
|
C786
|
CCN(CCc1ccccn1)S(=O)(=O)Cc1cccnc1 |
|
|
C787
|
Nc1cc(NCc2c[nH]cn2)ccn1 |
|
|
C788
|
Cc1cnccc1NCc1c[nH]cn1 |
|
|
C789
|
N#Cc1ccc(-c2nccs2)[nH]1 |
|
|
C790
|
CN(c1ccncc1N)n1cccc1 |
|
|
C792
|
COC(C)Cn1ccnc1C(=O)c1ccncc1 |
|
|
C794
|
CC(n1nc(-c2cncs2)nc1-c1cc[nH]c1)C(F)(F)F |
|
|
C797
|
CC(C)(C)CC(Nc1ccncc1F)c1cccnc1 |
|
|
C799
|
CC(Nc1cnc(-n2cccc2)cn1)c1ccccn1 |
|
|
C800
|
COC(=O)CCN(Cc1cccnc1)S(=O)(=O)C1CCOC1 |
|
|
C801
|
CCC(C(=O)Nc1c[nH]nc1-c1ccccn1)n1ccnc1 |
|
|
C802
|
O=C(CCC(=O)c1ccc[nH]1)OC(c1cccnc1)C(F)(F)F |
|
|
C803
|
CCCN(CCNC(=O)c1cccnc1)CCC1CCOC1 |
|
|
C804
|
CC(NCCCNC(=O)C1CCC1)c1cnc(-c2ccccn2)s1 |
|
|
C805
|
CC(NC(C)C1CCCO1)c1ccc(-c2cccnc2)cc1 |
|
|
C806
|
CC(C)CC(NC(=O)c1cnc(-c2ccccn2)s1)C(F)(F)F |
|
|
C807
|
CN(C)S(N)(=O)=NC(=O)c1cnn(C)c1-n1cccc1 |
|
|
C811
|
CCc1nc(-n2cccc2)sc1C(=O)NS(=O)(=O)CC(C)(F)F |
|
|
C812
|
Cn1ncc(C(=O)OCCCCC(C)(F)F)c1-n1cccc1 |
|
|
C813
|
CCc1nc(-n2cccc2)sc1C(=O)OC(C)CC |
|
|
C814
|
O=C(O)C1CCOC1CNCc1cncs1 |
|
|
C815
|
CCC1(C(N)c2cncs2)CCCO1 |
|
|
C816
|
CCC1OCCC1C(N)c1cncs1 |
|
|
C817
|
CNC(c1cncs1)C1CCOC1 |
|
|
C818
|
Cc1cccnc1C(N)Cc1cncs1 |
|
|
C819
|
Cc1ccc(C(N)Cc2cncs2)nc1 |
|
|
C820
|
O=C(CCCN1CCCCC1)Nc1c[nH]nc1-c1nccs1 |
|
|
C821
|
NCC1CC(CNCc2cncs2)CO1 |
|
|
C823
|
O=S(=O)(c1cccnc1)N1CC2CCC(C1)N2C1CCNCC1 |
|
|
C824
|
c1cc(OC2CCN(c3ncnc4ccsc34)C2)ccn1 |
|
|
C825
|
N#Cc1cc(C(=O)OCCN2CCCCC2)c[nH]1 |
|
|
C827
|
O=C(NC(CO)CN1CCCCC1)c1[nH]ncc1C(F)(F)F |
|
|
C828
|
CC(CC(=O)Nc1c[nH]nc1-c1ccccn1)C1CCNCC1 |
|
|
C829
|
CN(C)C(=O)Cn1cc(NS(=O)(=O)N2CCCCC2)cn1 |
|
|
C831
|
CN(C)C(=O)Cn1ccc(NS(=O)(=O)N2CCCCC2)n1 |
|
|
C1002
|
O=C(CCl)Cc1ccc(F)cc1 |
|
|
C1003
|
CCS(=O)(=O)NC1CCNCC1 |
|