General Information of the Compound
| Compound ID |
CP0443939
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| Compound Name |
3,4-dimethoxy-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 |
C28H33N7O5
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| Molecular Weight |
547.616
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(NC(=O)c2ccc(OC)c(OC)c2)n1
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| InChI |
InChI=1S/C28H33N7O5/c1-6-26(36)30-19-16-20(23(39-4)17-21(19)35-13-11-34(2)12-14-35)31-28-29-10-9-25(33-28)32-27(37)18-7-8-22(38-3)24(15-18)40-5/h6-10,15-17H,1,11-14H2,2-5H3,(H,30,36)(H2,29,31,32,33,37)
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| InChIKey |
SBPZBMNNCXGRND-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