Submission Details
Molecule(s):
O=C(CCl)N1CCN(C(=O)CC(CCc2ccccc2)N2CCN(C(=O)CCl)CC2)CC1
O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCCCC1
O=C(CCl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1
O=C(CCl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1
O=C(CCl)N1CCN(C(=O)Nc2ccccc2)CC1
AHN-SAT-de2502ba-8
Duplicate of:
AAR-POS-d2a4d1df-25
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCl
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCl
O=C(CCl)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
AHN-SAT-de2502ba-12
Duplicate of:
SAD-SAT-65574d3f-8
O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCOCC1
Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1
AHN-SAT-de2502ba-14
Duplicate of:
SAD-SAT-65574d3f-1
O=C(CCl)N1CCN(C/C=C/c2ccccc2)CC1
O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1
O=C(CCl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
O=C(CCl)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
O=C(CCl)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
O=C(CCl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
Design Rationale:
by eye,from enamine chloracetamide files, MAK-UNK-af83ef51-2 joined with enamine molecule fragment id used as placeholder