General Information of the Compound
| Compound ID |
CP0772513
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| Compound Name |
5-hydroxy-1-(4-(1-methyl-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 |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCCC4O)cc2)cn1
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| InChI |
InChI=1S/C21H21N3O4/c1-23-11-15(9-22-23)14-7-5-13(6-8-14)10-24-12-16(21(27)28)20(26)19-17(24)3-2-4-18(19)25/h5-9,11-12,18,25H,2-4,10H2,1H3,(H,27,28)
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| InChIKey |
SKYMJGOQOIAXMW-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