General Information of the Compound
| Compound ID |
CP0558816
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| Compound Name |
3-[3-[[2-cyclopentyl-2-(3-phenylphenyl)acetyl]amino]-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C29H31NO3
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| Molecular Weight |
441.571
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| Canonical SMILES |
Cc1c(CCC(O)=O)cccc1NC(=O)C(C1CCCC1)c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C29H31NO3/c1-20-21(17-18-27(31)32)13-8-16-26(20)30-29(33)28(23-11-5-6-12-23)25-15-7-14-24(19-25)22-9-3-2-4-10-22/h2-4,7-10,13-16,19,23,28H,5-6,11-12,17-18H2,1H3,(H,30,33)(H,31,32)
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| InChIKey |
QYQCFXNJHLCTBD-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