Submission Details
Molecule(s):
ALP-POS-e980f4ea-1
Duplicate of:
BRU-THA-92256091-78
CN1C(=O)CCc2cc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
ALP-POS-e980f4ea-2
Duplicate of:
BRU-THA-92256091-38
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CC2CCCC2C1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCc2cc(F)ccc21
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1COc2ccccc2C1
ALP-POS-e980f4ea-5
Duplicate of:
BRU-THA-92256091-14
CC(C)S(=O)(=O)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
ALP-POS-e980f4ea-6
Duplicate of:
BRU-THA-92256091-37
COC1CC2(C1)CC(N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1)C2
ALP-POS-e980f4ea-7
Duplicate of:
BRU-THA-92256091-11
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1cccnc1)C(=O)c1cnc[nH]1
ALP-POS-e980f4ea-8
Duplicate of:
BRU-THA-92256091-60
Cn1ncc2cc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
ALP-POS-e980f4ea-9
Duplicate of:
BRU-THA-92256091-15
CS(=O)(=O)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
ALP-POS-e980f4ea-10
Duplicate of:
BRU-THA-92256091-61
Cn1cnc2cc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
ALP-POS-e980f4ea-11
Duplicate of:
BRU-THA-92256091-20
CS(=O)(=O)Cc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
ALP-POS-e980f4ea-12
Duplicate of:
BRU-THA-92256091-17
CC(C)Oc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
ALP-POS-e980f4ea-13
Duplicate of:
BRU-THA-92256091-9
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCCC1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCOC1
ALP-POS-e980f4ea-15
Duplicate of:
BRU-THA-92256091-92
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1cccc(Oc2cccnn2)c1
ALP-POS-e980f4ea-16
Duplicate of:
BRU-THA-92256091-86
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(Cn2cccn2)cc1
ALP-POS-e980f4ea-17
Duplicate of:
BRU-THA-92256091-83
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(S(=O)(=O)C2CCCC2)cc1
ALP-POS-e980f4ea-18
Duplicate of:
BRU-THA-92256091-63
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2nc(C(F)(F)F)[nH]c2c1
ALP-POS-e980f4ea-19
Duplicate of:
BRU-THA-92256091-19
COc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
ALP-POS-e980f4ea-20
Duplicate of:
BRU-THA-92256091-65
Cn1ccc2cc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
ALP-POS-e980f4ea-21
Duplicate of:
BRU-THA-92256091-67
Cc1nc2ccc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2o1
ALP-POS-e980f4ea-22
Duplicate of:
BRU-THA-92256091-13
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCCCC1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCc2ccccc21
ALP-POS-e980f4ea-24
Duplicate of:
BRU-THA-92256091-51
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2ncsc2c1
ALP-POS-e980f4ea-25
Duplicate of:
BRU-THA-92256091-76
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2c(c1)CCCS2(=O)=O
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCN(c2ccccc2F)C1
ALP-POS-e980f4ea-27
Duplicate of:
BRU-THA-92256091-24
Cc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
ALP-POS-e980f4ea-28
Duplicate of:
BRU-THA-92256091-8
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccccc1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1Cc2ccccc21
ALP-POS-e980f4ea-30
Duplicate of:
BRU-THA-92256091-77
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2c(c1)CCC(=O)N2CC(F)F
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCN(c2ccccc2)C1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(OC2CCOC2)cc1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1COc2cc(F)ccc21
ALP-POS-e980f4ea-34
Duplicate of:
BRU-THA-92256091-12
COCc1csc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)n1
ALP-POS-e980f4ea-35
Duplicate of:
BRU-THA-92256091-88
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1cn(Cc2ccccc2)cn1
ALP-POS-e980f4ea-36
Duplicate of:
BRU-THA-92256091-52
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2scnc2c1
ALP-POS-e980f4ea-37
Duplicate of:
BRU-THA-92256091-32
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(C(F)(F)F)nc1
ALP-POS-e980f4ea-38
Duplicate of:
BRU-THA-92256091-59
Cn1ncc2ccc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc21
ALP-POS-e980f4ea-39
Duplicate of:
BRU-THA-92256091-30
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(OC(F)F)nc1
ALP-POS-e980f4ea-40
Duplicate of:
BRU-THA-92256091-28
COc1ccccc1CN(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
ALP-POS-e980f4ea-41
Duplicate of:
BRU-THA-92256091-27
Cc1ccccc1CN(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
ALP-POS-e980f4ea-42
Duplicate of:
BRU-THA-92256091-70
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1COC(C2CC2)C1
ALP-POS-e980f4ea-43
Duplicate of:
BRU-THA-92256091-29
CC1CC(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)CCO1
ALP-POS-e980f4ea-44
Duplicate of:
BRU-THA-92256091-42
Cc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1OC(F)F
CN1CCCC(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)C1
ALP-POS-e980f4ea-46
Duplicate of:
BRU-THA-92256091-41
COc1c(C)cccc1CN(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
ALP-POS-e980f4ea-47
Duplicate of:
BRU-THA-92256091-55
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2c(c1)CCOC2
ALP-POS-e980f4ea-48
Duplicate of:
BRU-THA-92256091-43
COc1cc(C)ccc1CN(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
ALP-POS-e980f4ea-49
Duplicate of:
BRU-THA-92256091-31
CCOc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cn1
ALP-POS-e980f4ea-50
Duplicate of:
BRU-THA-92256091-44
COc1cc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)ccc1S(=O)(=O)N(C)C
ALP-POS-e980f4ea-51
Duplicate of:
BRU-THA-92256091-16
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(OC(F)F)cc1
ALP-POS-e980f4ea-52
Duplicate of:
BRU-THA-92256091-23
COCc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
ALP-POS-e980f4ea-53
Duplicate of:
BRU-THA-92256091-54
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2c(c1)COCC2
CC(c1ccccc1)N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
ALP-POS-e980f4ea-55
Duplicate of:
BRU-THA-92256091-82
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)[C@H]1C[C@H](Oc2ccccc2)C1
ALP-POS-e980f4ea-56
Duplicate of:
BRU-THA-92256091-49
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCC2(CCO2)CC1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1COC2(CCCC2)C1
Cc1ccccc1C(C)N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
ALP-POS-e980f4ea-59
Duplicate of:
BRU-THA-92256091-79
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1cccc(C2COC2)c1
ALP-POS-e980f4ea-60
Duplicate of:
BRU-THA-92256091-47
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCC2OCCC2C1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCCC2(CCC2)C1
ALP-POS-e980f4ea-62
Duplicate of:
BRU-THA-92256091-80
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(C2COC2)cc1
ALP-POS-e980f4ea-63
Duplicate of:
BRU-THA-92256091-75
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1cnc(C2CCC2)nc1
ALP-POS-e980f4ea-64
Duplicate of:
BRU-THA-92256091-7
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cnc[nH]1
ALP-POS-e980f4ea-65
Duplicate of:
BRU-THA-92256091-66
Cc1nc2cc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc2s1
O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCOC1
ALP-POS-e980f4ea-67
Duplicate of:
BRU-THA-92256091-18
CCOc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
Design Rationale:
Ugi library - varying amine. Target log P reduction.