Afuresertib hydrochloride (USAN)

Properties Image MNX_ID MNXM151830 reference keggD:D10382 formula C18H18Cl3FN4OS global charge 0 mol weight 463.793 InChIKey YFQJOPFTGMHYNV-YDALLXLXSA-N InChI InChI=1S/C18H17Cl2FN4OS.ClH/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10;/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26);1H/t12-;/m0./s1 SMILES CN1N=CC(Cl)=C1C1=C(Cl)SC(C(=O)N[C@H](CN)CC2=CC=CC(F)=C2)=C1.Cl MNX internals InChI (mnx) InChI=1/C18H17Cl2FN4OS.ClH/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10;/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26);1H/t12-;/m0./s1 SMILES (mnx) [CH3:1][N:25]1[C:16]([C:13]2=[C:17]([Cl:20])[S:27][C:15]([C:18]([NH:24][C@@H:12]([CH2:6][C:10]3=[CH:5][C:11]([F:21])=[CH:4][CH:2]=[CH:3]3)[CH2:8][NH2:22])=[O:26])=[CH:7]2)=[C:14]([Cl:19])[CH:9]=[N:23]1.[ClH:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0