General Information of the Compound
| Compound ID |
CP0538357
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| Compound Name |
(R/S) 3-{3-[(Cyclopentyl{4-[5-(trifluoromethyl)pyridin-3-yl]phenyl}acetyl)amino]-2-methylphenyl}propanoic acid
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| Structure |
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| Formula |
C29H29F3N2O3
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| Molecular Weight |
510.556
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| Canonical SMILES |
Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1ccc(cc1)-c1cncc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H29F3N2O3/c1-18-19(13-14-26(35)36)7-4-8-25(18)34-28(37)27(21-5-2-3-6-21)22-11-9-20(10-12-22)23-15-24(17-33-16-23)29(30,31)32/h4,7-12,15-17,21,27H,2-3,5-6,13-14H2,1H3,(H,34,37)(H,35,36)
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| InChIKey |
BQUFVNCYDJQTBE-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