General Information of the Compound
| Compound ID |
CP0529745
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| Compound Name |
(R/S) [3-({[4-(5-Chloropyridin-3-yl)phenyl](cyclopentyl)acetyl}amino)-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C27H27ClN2O4
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| Molecular Weight |
478.976
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| Canonical SMILES |
Cc1c(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)cccc1OCC(O)=O
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| InChI |
InChI=1S/C27H27ClN2O4/c1-17-23(7-4-8-24(17)34-16-25(31)32)30-27(33)26(19-5-2-3-6-19)20-11-9-18(10-12-20)21-13-22(28)15-29-14-21/h4,7-15,19,26H,2-3,5-6,16H2,1H3,(H,30,33)(H,31,32)
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| InChIKey |
GMALHSWNLMGJLT-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