General Information of the Compound
| Compound ID |
CP0561869
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| Compound Name |
(R/S) 3-[3-({Cyclopentyl[4-(5-fluoropyridin-3-yl)phenyl]acetyl}amino)-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C28H29FN2O3
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| Molecular Weight |
460.549
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| Canonical SMILES |
Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(cc1)-c1cncc(F)c1
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| InChI |
InChI=1S/C28H29FN2O3/c1-18-19(13-14-26(32)33)7-4-8-25(18)31-28(34)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(29)17-30-16-23/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,31,34)(H,32,33)
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| InChIKey |
BQZCIPSDARTPJF-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