General Information of the Compound
| Compound ID |
CP0794378
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| Compound Name |
1-(4-(1H-pyrazol-1-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 |
C20H19N3O4
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| Molecular Weight |
365.389
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| Canonical SMILES |
O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2c(c1=O)C(O)CCC2
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| InChI |
InChI=1S/C20H19N3O4/c24-17-4-1-3-16-18(17)19(25)15(20(26)27)12-22(16)11-13-5-7-14(8-6-13)23-10-2-9-21-23/h2,5-10,12,17,24H,1,3-4,11H2,(H,26,27)
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| InChIKey |
JJVKFVPYAQXWKW-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