A1AF4

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[(3S)-2,6-dioxopiperidin-3-yl]-4-{[(2-fluoro-4-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}phenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
OpenEye OEToolkits	2.0.7	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-4-[[2-fluoranyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=O)CCC1N1C(=O)c2cccc(NCc3ccc(cc3F)CN3CC(C3)N3CCOCC3)c2C1=O
InChI	InChI	1.06	InChI=1S/C28H30FN5O5/c29-21-12-17(14-32-15-19(16-32)33-8-10-39-11-9-33)4-5-18(21)13-30-22-3-1-2-20-25(22)28(38)34(27(20)37)23-6-7-24(35)31-26(23)36/h1-5,12,19,23,30H,6-11,13-16H2,(H,31,35,36)/t23-/m0/s1
InChIKey	InChI	1.06	NZYDBVQXOGPDDU-QHCPKHFHSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cc(CN2CC(C2)N3CCOCC3)ccc1CNc4cccc5C(=O)N([C@H]6CCC(=O)NC6=O)C(=O)c45
SMILES	CACTVS	3.385	Fc1cc(CN2CC(C2)N3CCOCC3)ccc1CNc4cccc5C(=O)N([CH]6CCC(=O)NC6=O)C(=O)c45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)NCc3ccc(cc3F)CN4CC(C4)N5CCOCC5)C(=O)N(C2=O)[C@H]6CCC(=O)NC6=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)NCc3ccc(cc3F)CN4CC(C4)N5CCOCC5)C(=O)N(C2=O)C6CCC(=O)NC6=O