General Information of the Compound
| Compound ID |
CP0469452
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| Compound Name |
3-[3-[[(2R)-2-cyclopentyl-2-(4-pyridin-3-ylphenyl)acetyl]amino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C28H30N2O3
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| Molecular Weight |
442.559
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| Canonical SMILES |
Cc1c(CCC(O)=O)cccc1NC(=O)[C@H](C1CCCC1)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C28H30N2O3/c1-19-20(15-16-26(31)32)8-4-10-25(19)30-28(33)27(22-6-2-3-7-22)23-13-11-21(12-14-23)24-9-5-17-29-18-24/h4-5,8-14,17-18,22,27H,2-3,6-7,15-16H2,1H3,(H,30,33)(H,31,32)/t27-/m1/s1
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| InChIKey |
WJUCIXIGHFBKRK-HHHXNRCGSA-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