Samotolisib (USAN)

Properties Image MNX_ID MNXM815076 reference keggD:D11501 formula C23H26N4O3 global charge 0 mol weight 406.486 InChIKey ACCFLVVUVBJNGT-AWEZNQCLSA-N InChI InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1 SMILES CO[C@@H](C)CN1C(=O)N(C)C2=C1C1=CC(C3=CN=CC(C(C)(C)O)=C3)=CC=C1N=C2 MNX internals InChI (mnx) InChI=1/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1 SMILES (mnx) [CH3:1][C@@H:14]([CH2:13][N:27]1[C:21]2=[C:20]([CH:12]=[N:25][C:19]3=[C:18]2[CH:9]=[C:15]([C:16]2=[CH:8][C:17]([C:23]([CH3:2])([CH3:3])[OH:29])=[CH:11][N:24]=[CH:10]2)[CH:6]=[CH:7]3)[N:26]([CH3:4])[C:22]1=[O:28])[O:30][CH3:5]

Parent-child relations graph

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