General Information of the Compound
| Compound ID |
CP0555006
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| Compound Name |
3-[3-[[2-cyclopentyl-2-(4-pyridin-2-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(C1CCCC1)c1ccc(cc1)-c1ccccn1
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| InChI |
InChI=1S/C28H30N2O3/c1-19-20(16-17-26(31)32)9-6-11-24(19)30-28(33)27(22-7-2-3-8-22)23-14-12-21(13-15-23)25-10-4-5-18-29-25/h4-6,9-15,18,22,27H,2-3,7-8,16-17H2,1H3,(H,30,33)(H,31,32)
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| InChIKey |
AYDJOYJGZRTVFI-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