General Information of the Compound
| Compound ID |
CP0554706
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| Compound Name |
2-[(2S,5S)-5-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C21H25NO2
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| Molecular Weight |
323.436
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| Canonical SMILES |
C[C@H]1CC[C@@H](CC(O)=O)N1c1ccc(Cc2ccccc2C)cc1
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| InChI |
InChI=1S/C21H25NO2/c1-15-5-3-4-6-18(15)13-17-8-11-19(12-9-17)22-16(2)7-10-20(22)14-21(23)24/h3-6,8-9,11-12,16,20H,7,10,13-14H2,1-2H3,(H,23,24)/t16-,20-/m0/s1
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| InChIKey |
WUXYVOKLSYNZBV-JXFKEZNVSA-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