General Information of the Compound
| Compound ID |
CP0567152
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| Compound Name |
methyl 4-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxopyridin-3-yl]amino]-2-(prop-2-enoylamino)benzoate
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| Structure |
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| Formula |
C35H36N4O5
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| Molecular Weight |
592.696
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| Canonical SMILES |
COC(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C
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| InChI |
InChI=1S/C35H36N4O5/c1-8-31(40)37-29-19-25(16-17-27(29)34(43)44-7)36-30-18-23(20-39(6)33(30)42)26-10-9-11-28(21(26)2)38-32(41)22-12-14-24(15-13-22)35(3,4)5/h8-20,36H,1H2,2-7H3,(H,37,40)(H,38,41)
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| InChIKey |
FXDJDINFOWWYBM-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