General Information of the Compound
| Compound ID |
CP0914055
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| Compound Name |
1-(4-(6-aminopyridin-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 |
C22H21N3O4
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| Molecular Weight |
391.427
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| Canonical SMILES |
Nc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCCC4O)cc2)cn1
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| InChI |
InChI=1S/C22H21N3O4/c23-19-9-8-15(10-24-19)14-6-4-13(5-7-14)11-25-12-16(22(28)29)21(27)20-17(25)2-1-3-18(20)26/h4-10,12,18,26H,1-3,11H2,(H2,23,24)(H,28,29)
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| InChIKey |
IUBBNLSAUVQIOG-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