General Information of the Compound
| Compound ID |
CP0519960
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| Compound Name |
2-[(2S,4R)-1-[4-[(2-methylphenyl)methyl]phenyl]-4-phenylpyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C26H27NO2
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| Molecular Weight |
385.507
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| Canonical SMILES |
Cc1ccccc1Cc1ccc(cc1)N1C[C@H](C[C@H]1CC(O)=O)c1ccccc1
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| InChI |
InChI=1S/C26H27NO2/c1-19-7-5-6-10-22(19)15-20-11-13-24(14-12-20)27-18-23(16-25(27)17-26(28)29)21-8-3-2-4-9-21/h2-14,23,25H,15-18H2,1H3,(H,28,29)/t23-,25-/m0/s1
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| InChIKey |
TYSPPKGSOHLXQF-ZCYQVOJMSA-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT04613, Free fatty acid receptor 1