General Information of the Compound
| Compound ID |
CP0404539
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| Compound Name |
2-[(2S)-1-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
Cc1ccccc1COc1ccc(cc1C)N1CCC[C@H]1CC(O)=O
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| InChI |
InChI=1S/C21H25NO3/c1-15-6-3-4-7-17(15)14-25-20-10-9-19(12-16(20)2)22-11-5-8-18(22)13-21(23)24/h3-4,6-7,9-10,12,18H,5,8,11,13-14H2,1-2H3,(H,23,24)/t18-/m0/s1
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| InChIKey |
MNQZDJDWNOKSDV-SFHVURJKSA-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