General Information of the Compound
| Compound ID |
CP0404543
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| Compound Name |
2-[(2S)-1-[4-(2-tert-butylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C22H27NO3
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| Molecular Weight |
353.462
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ccc(cc1)N1CCC[C@H]1CC(O)=O
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| InChI |
InChI=1S/C22H27NO3/c1-22(2,3)19-8-4-5-9-20(19)26-18-12-10-16(11-13-18)23-14-6-7-17(23)15-21(24)25/h4-5,8-13,17H,6-7,14-15H2,1-3H3,(H,24,25)/t17-/m0/s1
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| InChIKey |
BXWJIEUCTXBYQV-KRWDZBQOSA-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