General Information of the Compound
| Compound ID |
CP0390838
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| Compound Name |
N-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]benzamide
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| Structure |
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| Formula |
C26H29N7O3
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| Molecular Weight |
487.564
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(NC(=O)c2ccccc2)n1
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| InChI |
InChI=1S/C26H29N7O3/c1-4-24(34)28-19-16-20(22(36-3)17-21(19)33-14-12-32(2)13-15-33)29-26-27-11-10-23(31-26)30-25(35)18-8-6-5-7-9-18/h4-11,16-17H,1,12-15H2,2-3H3,(H,28,34)(H2,27,29,30,31,35)
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| InChIKey |
XZFDGUJHFBTGHV-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