General Information of the Compound
| Compound ID |
CP0070902
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| Compound Name |
methyl 7-chloro-3-[[4-(2-hydroxyethylcarbamoyl)phenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
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| Synonyms |
PMID25991433-Compound-E1
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| Structure |
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| Formula |
C27H23ClN2O5
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| Molecular Weight |
490.943
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| Canonical SMILES |
COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
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| InChI |
InChI=1S/C27H23ClN2O5/c1-35-27(34)24-22(15-17-7-9-18(10-8-17)26(33)29-13-14-31)25(32)21-12-11-19(28)16-23(21)30(24)20-5-3-2-4-6-20/h2-12,16,31H,13-15H2,1H3,(H,29,33)
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| InChIKey |
STNCBMGTCZRJPA-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
Clinical Information about the Compound