General Information of the Compound
| Compound ID |
CP0914080
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| Compound Name |
1-((3'-chlorobiphenyl-4-yl)methyl)-5-hydroxy-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C23H20ClNO4
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| Molecular Weight |
409.869
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| Canonical SMILES |
O=C(O)c1cn(Cc2ccc(-c3cccc(Cl)c3)cc2)c2c(c1=O)C(O)CCC2
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| InChI |
InChI=1S/C23H20ClNO4/c24-17-4-1-3-16(11-17)15-9-7-14(8-10-15)12-25-13-18(23(28)29)22(27)21-19(25)5-2-6-20(21)26/h1,3-4,7-11,13,20,26H,2,5-6,12H2,(H,28,29)
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| InChIKey |
WACABJHLYMYADY-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