General Information of the Compound
| Compound ID |
CP0407916
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| Compound Name |
4-(methylamino)-2-[4-methyl-3-(prop-2-enoylamino)anilino]-N-[2-methyl-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C33H35N7O6
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| Molecular Weight |
625.686
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| Canonical SMILES |
CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C33H35N7O6/c1-8-28(41)38-25-14-21(12-10-19(25)3)37-33-35-17-23(30(34-4)40-33)32(43)39-24-13-20(11-9-18(24)2)31(42)36-22-15-26(44-5)29(46-7)27(16-22)45-6/h8-17H,1H2,2-7H3,(H,36,42)(H,38,41)(H,39,43)(H2,34,35,37,40)
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| InChIKey |
SAMJKRXGXKWQOX-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