General Information of the Compound
| Compound ID |
CP0554109
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| Compound Name |
N-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C30H31N7O3
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| Molecular Weight |
537.624
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(NC(=O)c2cccc3ccccc23)n1
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| InChI |
InChI=1S/C30H31N7O3/c1-4-28(38)32-23-18-24(26(40-3)19-25(23)37-16-14-36(2)15-17-37)33-30-31-13-12-27(35-30)34-29(39)22-11-7-9-20-8-5-6-10-21(20)22/h4-13,18-19H,1,14-17H2,2-3H3,(H,32,38)(H2,31,33,34,35,39)
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| InChIKey |
ZZVIASMIOWABNB-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