PDB CCD ID: | 9KO | ||||||||
Number of entries in BioLiP: | 2 | ||||||||
Chemical formula: | C33 H32 F3 N9 O3 | ||||||||
InChI: | InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41) | ||||||||
InChIKey: | FCMNXGJPIJFWQV-UHFFFAOYSA-N | ||||||||
SMILES: |
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Name: | N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | ||||||||
ChEMBL: | CHEMBL4214342 |