Filanesib (USAN/INN)

Properties Image MNX_ID MNXM1130136 reference keggD:D11754 formula C20H22F2N4O2S global charge 0 mol weight 420.485 InChIKey LLXISKGBWFTGEI-FQEVSTJZSA-N InChI InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1 SMILES CON(C)C(=O)N1N=C(C2=CC(F)=CC=C2F)S[C@@]1(CCCN)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1 SMILES (mnx) [CH3:1][N:25]([C:19]([N:26]1[C@:20]([CH2:11][CH2:6][CH2:12][NH2:23])([C:14]2=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]2)[S:29][C:18]([C:16]2=[C:17]([F:22])[CH:10]=[CH:9][C:15]([F:21])=[CH:13]2)=[N:24]1)=[O:27])[O:28][CH3:2]

Parent-child relations graph

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