Submission Details
Molecule(s):
Cc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1C
O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1ccc2ccncc2c1
Cc1cn2ccc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)cc2n1
O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1cccc2[nH]c(=O)[nH]c12
Cc1nnc(CNc2ccc3nnc(-c4ccccc4)n3n2)o1
CCn1c(CNc2nnc(-c3nccn3C)o2)nc2ccccc21
CN(Cc1nnc2ccccn12)C(=O)c1ccnc2ccccc12
Cc1cc(N2CCC(C)N(Cc3ccccc3)CC2)n2ncnc2n1
O=C(Nc1nn2cnnc2s1)c1csc(-c2ccccc2)n1
Cc1cn2c(CNC(=O)c3cnn4ccccc34)c(C)nc2s1
N#CCc1cccc(NC(=O)c2cnn3cc(Br)cnc23)n1
Cc1ccc(Br)nc1C(=O)NC(C)c1nnc2c(=O)[nH]ccn12
O=C(NNc1nc(Br)cn2ccnc12)c1nccn2ccnc12
O=C(NNc1cc(O)nc2ncccc12)c1ccc2[nH]ccc2c1
Cc1cc(C(=O)Nc2cnc3nccn3c2)nn1-c1ccc(F)cc1
Cn1ccn2c(CNC(=O)c3ccc4ncsc4c3)nnc2c1=O
Cn1c(NC(=O)Cc2csc3nccn23)nc2ccc(F)cc21
O=C(N/N=c1\cc[nH]c2ccccc12)c1ccc2ncccc2c1
Cc1cc(O)c2cc(NC(=O)c3cnn4ccc(C)nc34)ccc2n1
Cc1cccc2ncnc(NC(C)c3ccc4[nH]c(=O)[nH]c4c3)c12
Cc1[nH]c2ccccc2c1C(=O)NNc1nc2cccnc2s1
O=C(Nc1cnc2nccn2c1)c1cn2c(Br)cnc2s1
O=C(Nc1cccc2nccnc12)c1c[nH]c2cc([N+](=O)[O-])ccc12
Cc1ccc(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)cn1
c1ccc2oc(C3CCCN(Cc4cnc5cnccn45)C3)nc2c1
Cn1cnnc1-c1cccc(NS(=O)(=O)c2c(Cl)nc3sccn23)c1
Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4ncccc4c3)ccc21
CC(NC(=O)c1c(Cl)nc2ccccn12)c1nnc2ccccn12
CC(NC(=O)c1nccc2cccnc12)c1ccc2[nH]c(=O)oc2c1
Cc1noc2ncc(CNc3ccc(-c4nnnn4C)cc3)cc12
CC(NC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2n1C
c1cc(CN2CCCC(c3nnc4ccccn34)C2)n2ccnc2c1
Cc1nc2sccn2c1CN(C)C(=O)c1cn2ccccc2n1
CN(Cc1nc2ccccc2s1)C(=O)c1ccc2c(c1)nnn2C
CC(Cc1nc2ccccc2s1)Nc1ccc2nnnn2n1
Cc1csc2ncc(C(=O)Nc3cccc4ncccc34)c(=O)n12
O=C(NNc1nc2ccccc2[nH]1)c1cc(O)nc2ccccc12
O=C(Nc1cccc2cc[nH]c12)c1cccc2[nH]c(=O)oc12
Cn1c(NC(=O)c2cccnc2-n2cccn2)nc2cc(F)ccc21
Cc1nn2c(CNc3ccc(Cn4cncn4)cc3)c(C)nc2s1
CC(CNC(=O)c1cnc2ccccn12)Nc1nc2ccccc2o1
Cc1nc2cc(C(=O)NNc3nc4ccncc4s3)ccc2o1
Cc1nn(C)c2nc(Cl)cc(NNC(=O)c3ccnc4[nH]nnc34)c12
COc1ccc(CNCCc2cn3ccsc3n2)cc1OC(F)F
CC(NC(=O)c1ccc2oc(=S)[nH]c2c1)c1nnc2ccccn12
Design Rationale:
Fragment expansion using machine learning.