Avatrombopag (USAN/INN)

Properties Image MNX_ID MNXM152474 reference keggD:D10306 formula C29H34Cl2N6O3S2 global charge 0 mol weight 649.67 InChIKey OFZJKCQENFPZBH-UHFFFAOYSA-N InChI InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38) SMILES O=C(NC1=NC(C2=CC(Cl)=CS2)=C(N2CCN(C3CCCCC3)CC2)S1)C1=CC(Cl)=C(N2CCC(C(=O)O)CC2)N=C1 MNX internals InChI (mnx) InChI=1/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38) SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:21]([N:35]2[CH2:10][CH2:12][N:37]([C:27]3=[C:24]([C:23]4=[CH:15][C:20]([Cl:30])=[CH:17][S:41]4)[N:33]=[C:29]([N:34]=[C:26]([C:19]4=[CH:14][C:22]([Cl:31])=[C:25]([N:36]5[CH2:8][CH2:6][CH:18]([C:28](=[O:39])[OH:40])[CH2:7][CH2:9]5)[N:32]=[CH:16]4)[OH:38])[S:42]3)[CH2:13][CH2:11]2)[CH2:5][CH2:3]1

Parent-child relations graph

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