General Information of the Compound
| Compound ID |
CP0412397
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| Compound Name |
N-[3-[[2-(2,4-dimethoxyanilino)pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C22H22N6O4
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| Molecular Weight |
434.456
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| Canonical SMILES |
COc1ccc(Nc2nccc(NC(=O)Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
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| InChI |
InChI=1S/C22H22N6O4/c1-4-20(29)24-14-6-5-7-15(12-14)25-22(30)28-19-10-11-23-21(27-19)26-17-9-8-16(31-2)13-18(17)32-3/h4-13H,1H2,2-3H3,(H,24,29)(H3,23,25,26,27,28,30)
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| InChIKey |
IZXAWICOIQJFFX-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