General Information of the Compound
| Compound ID |
CP0545647
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| Compound Name |
4-[[5-[3-[[4-(dimethylamino)benzoyl]amino]-2-methylphenyl]-1-methyl-2-oxopyridin-3-yl]amino]-N-(2-methoxyethyl)-2-(prop-2-enoylamino)benzamide
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| Structure |
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| Formula |
C35H38N6O5
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| Molecular Weight |
622.726
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| Canonical SMILES |
COCCNC(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)N(C)C)c2C)cc1NC(=O)C=C
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| InChI |
InChI=1S/C35H38N6O5/c1-7-32(42)38-30-20-25(13-16-28(30)34(44)36-17-18-46-6)37-31-19-24(21-41(5)35(31)45)27-9-8-10-29(22(27)2)39-33(43)23-11-14-26(15-12-23)40(3)4/h7-16,19-21,37H,1,17-18H2,2-6H3,(H,36,44)(H,38,42)(H,39,43)
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| InChIKey |
JDAWYWDCYKPLMX-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