General Information of the Compound
| Compound ID |
CP0387297
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| Compound Name |
N-[4-methyl-3-[1-methyl-7-[4-methyl-3-(prop-2-enoylamino)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C32H28F3N7O3
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| Molecular Weight |
615.616
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| Canonical SMILES |
CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
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| InChI |
InChI=1S/C32H28F3N7O3/c1-5-27(43)39-25-14-23(11-9-18(25)2)38-30-36-16-21-17-42(31(45)41(4)28(21)40-30)26-15-24(12-10-19(26)3)37-29(44)20-7-6-8-22(13-20)32(33,34)35/h5-16H,1,17H2,2-4H3,(H,37,44)(H,39,43)(H,36,38,40)
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| InChIKey |
CJGAHYFMEDSRMU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound