General Information of the Compound
| Compound ID |
CP0839492
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| Compound Name |
Sodium salt 3,5-dihydroxy-6-(2-methyl-4-phenyl-quinolin-3-yloxy)-hexanoate
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| Structure |
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| Formula |
C22H22NNaO5
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| Molecular Weight |
403.41
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| Canonical SMILES |
Cc1nc2ccccc2c(-c2ccccc2)c1OCC(O)C[C@@H](O)CC(=O)[O-].[Na+]
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| InChI |
InChI=1S/C22H23NO5.Na/c1-14-22(28-13-17(25)11-16(24)12-20(26)27)21(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-14;/h2-10,16-17,24-25H,11-13H2,1H3,(H,26,27);/q;+1/p-1/t16-,17?;/m1./s1
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| InChIKey |
JYYLGTPFJYJTSA-RBMDBAKPSA-M
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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