General Information of the Compound
| Compound ID |
CP0529747
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| Compound Name |
(R/S) 3-[3-({[4-(5-Chloropyridin-3-yl)phenyl](cyclobutyl)acetyl}amino)-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C27H27ClN2O3
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| Molecular Weight |
462.977
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| Canonical SMILES |
Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCC1)c1ccc(cc1)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C27H27ClN2O3/c1-17-18(12-13-25(31)32)4-3-7-24(17)30-27(33)26(20-5-2-6-20)21-10-8-19(9-11-21)22-14-23(28)16-29-15-22/h3-4,7-11,14-16,20,26H,2,5-6,12-13H2,1H3,(H,30,33)(H,31,32)
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| InChIKey |
CTDNBGDNFAVNQA-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