General Information of the Compound
| Compound ID |
CP0459384
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| Compound Name |
N-[2-[4-(dimethylamino)-2-methoxy-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]benzamide
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| Structure |
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| Formula |
C23H24N6O3
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| Molecular Weight |
432.484
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| Canonical SMILES |
COc1cc(N(C)C)c(NC(=O)C=C)cc1Nc1nccc(NC(=O)c2ccccc2)n1
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| InChI |
InChI=1S/C23H24N6O3/c1-5-21(30)25-16-13-17(19(32-4)14-18(16)29(2)3)26-23-24-12-11-20(28-23)27-22(31)15-9-7-6-8-10-15/h5-14H,1H2,2-4H3,(H,25,30)(H2,24,26,27,28,31)
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| InChIKey |
LCNMSBACQVVJRJ-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