Uprosertib (USAN/INN)

Properties Image MNX_ID MNXM162028 reference keggD:D10674 formula C18H16Cl2F2N4O2 global charge 0 mol weight 429.254 InChIKey AXTAPYRUEKNRBA-JTQLQIEISA-N InChI InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1 SMILES CN1N=CC(Cl)=C1C1=C(Cl)OC(C(=O)N[C@H](CN)CC2=CC=C(F)C(F)=C2)=C1 MNX internals InChI (mnx) InChI=1/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1 SMILES (mnx) [CH3:1][N:26]1[C:16]([C:11]2=[C:17]([Cl:20])[O:28][C:15]([C:18]([NH:25][C@@H:10]([CH2:4][C:9]3=[CH:5][C:14]([F:22])=[C:13]([F:21])[CH:3]=[CH:2]3)[CH2:7][NH2:23])=[O:27])=[CH:6]2)=[C:12]([Cl:19])[CH:8]=[N:24]1

Parent-child relations graph

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