7-[4-[5-[6-amino-2-[(3-ethyl-4-methyl-phenyl)amino]purin-9-yl]pentyl]piperazin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
Molecular Formula:
C39H40F3N9O3
InChI: InChI=1/C39H40F3N9O3/c1-3-24-17-26(9-7-23(24)2)45-39-46-36(43)34-37(47-39)50(22-44-34)12-6-4-5-11-48-13-15-49(16-14-48)33-20-32-27(19-30(33)42)35(52)28(38(53)54)21-51(32)31-10-8-25(40)18-29(31)41/h7-10,17-22H,3-6,11-16H2,1-2H3,(H,53,54)(H3,43,45,46,47)/f/h45,53H,43H2
InChIKey: InChIKey=CHDPGQOTHNIJEC-JQPSXHRUCD
SMILES: CCC1=C(C=CC(=C1)NC2=NC3=C(C(=N2)N)N=CN3CCCCCN4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7=C(C=C(C=C7)F)F)F)C
Names:
7-[4-[5-[6-amino-2-[(3-ethyl-4-methyl-phenyl)amino]purin-9-yl]pentyl]piperazin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
Registries:
PubChem CID 10169263
PubChem ID 15162333
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