General Information of the Compound
| Compound ID |
CP0846967
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| Compound Name |
5-hydroxy-1-(4-(1-isobutyl-1H-pyrazol-4-yl)benzyl)-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C24H27N3O4
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| Molecular Weight |
421.497
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| Canonical SMILES |
CC(C)Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCCC4O)cc2)cn1
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| InChI |
InChI=1S/C24H27N3O4/c1-15(2)11-27-13-18(10-25-27)17-8-6-16(7-9-17)12-26-14-19(24(30)31)23(29)22-20(26)4-3-5-21(22)28/h6-10,13-15,21,28H,3-5,11-12H2,1-2H3,(H,30,31)
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| InChIKey |
CHQWEWSOWLIVJC-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