Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L79ESN
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| Ligand Name |
N-[3-[7-[[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Synonyms |
CHEMBL4214342; BDBM50459208
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| Structure |
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Download2D MOL |
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| Formula |
C33H32F3N9O3
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| Canonical SMILES |
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)N6CCN(CC6)C(=O)C
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| 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)
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| InChIKey |
FCMNXGJPIJFWQV-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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