General Information of the Compound
| Compound ID |
CP0467890
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| Compound Name |
3-[4-[[2-[4-(5-chloropyridin-3-yl)phenyl]-2-cyclopentylacetyl]amino]phenyl]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 |
OC(=O)CCc1ccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)cc1
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| InChI |
InChI=1S/C27H27ClN2O3/c28-23-15-22(16-29-17-23)19-8-10-21(11-9-19)26(20-3-1-2-4-20)27(33)30-24-12-5-18(6-13-24)7-14-25(31)32/h5-6,8-13,15-17,20,26H,1-4,7,14H2,(H,30,33)(H,31,32)
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| InChIKey |
SBURKNOJWUKYRD-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