General Information of the Compound
| Compound ID |
CP0919496
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| Compound Name |
5-hydroxy-1-(4-(6-methoxypyridin-3-yl)benzyl)-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C23H22N2O5
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| Molecular Weight |
406.438
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| Canonical SMILES |
COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCCC4O)cc2)cn1
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| InChI |
InChI=1S/C23H22N2O5/c1-30-20-10-9-16(11-24-20)15-7-5-14(6-8-15)12-25-13-17(23(28)29)22(27)21-18(25)3-2-4-19(21)26/h5-11,13,19,26H,2-4,12H2,1H3,(H,28,29)
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| InChIKey |
LBLTYGBTZHWZHL-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