General Information of the Compound
| Compound ID |
CP0387295
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| Compound Name |
4-(methylamino)-2-[4-methyl-3-(prop-2-enoylamino)anilino]-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C31H28F3N7O3
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| Molecular Weight |
603.605
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| Canonical SMILES |
CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C31H28F3N7O3/c1-5-26(42)39-25-15-22(12-10-18(25)3)38-30-36-16-23(27(35-4)41-30)29(44)40-24-13-19(11-9-17(24)2)28(43)37-21-8-6-7-20(14-21)31(32,33)34/h5-16H,1H2,2-4H3,(H,37,43)(H,39,42)(H,40,44)(H2,35,36,38,41)
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| InChIKey |
GUPUUJHIMIFKGZ-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