General Information of the Compound
| Compound ID |
CP0476595
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| Compound Name |
N-[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]benzamide
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| Structure |
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| Formula |
C26H31N7O3
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| Molecular Weight |
489.58
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(NC(=O)c2ccccc2)n1
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| InChI |
InChI=1S/C26H31N7O3/c1-6-24(34)28-19-16-20(22(36-5)17-21(19)33(4)15-14-32(2)3)29-26-27-13-12-23(31-26)30-25(35)18-10-8-7-9-11-18/h6-13,16-17H,1,14-15H2,2-5H3,(H,28,34)(H2,27,29,30,31,35)
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| InChIKey |
KRNMWAXVLSBLCX-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