Tepotinib (USAN/INN)

Properties Image MNX_ID MNXM1130114 reference keggD:D11717 formula C29H28N6O2 global charge 0 mol weight 492.583 InChIKey AHYMHWXQRWRBKT-UHFFFAOYSA-N InChI InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3 SMILES CN1CCC(COC2=CN=C(C3=CC=CC(CN4N=C(C5=CC(C#N)=CC=C5)C=CC4=O)=C3)N=C2)CC1 MNX internals InChI (mnx) InChI=1/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3 SMILES (mnx) [CH3:1][N:34]1[CH2:12][CH2:10][CH:21]([CH2:20][O:37][C:26]2=[CH:17][N:31]=[C:29]([C:25]3=[CH:7][CH:3]=[CH:5][C:23]([CH2:19][N:35]4[C:28](=[O:36])[CH:9]=[CH:8][C:27]([C:24]5=[CH:6][CH:2]=[CH:4][C:22]([C:16]#[N:30])=[CH:14]5)=[N:33]4)=[CH:15]3)[N:32]=[CH:18]2)[CH2:11][CH2:13]1

Parent-child relations graph

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