General Information of the Compound
| Compound ID |
CP0894161
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| Compound Name |
1-(4-(furan-3-yl)benzyl)-5-hydroxy-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C21H19NO5
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| Molecular Weight |
365.385
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| Canonical SMILES |
O=C(O)c1cn(Cc2ccc(-c3ccoc3)cc2)c2c(c1=O)C(O)CCC2
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| InChI |
InChI=1S/C21H19NO5/c23-18-3-1-2-17-19(18)20(24)16(21(25)26)11-22(17)10-13-4-6-14(7-5-13)15-8-9-27-12-15/h4-9,11-12,18,23H,1-3,10H2,(H,25,26)
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| InChIKey |
CKYQRQFEBHFWRU-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