General Information of the Compound
| Compound ID |
CP0471349
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| Compound Name |
(3S)-3-[4-[[3-methoxy-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Formula |
C34H35NO4
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| Molecular Weight |
521.657
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| Canonical SMILES |
COc1cc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)ccc1CN1CCC2(CC1)C=Cc1ccccc21
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| InChI |
InChI=1S/C34H35NO4/c1-3-6-28(22-33(36)37)26-11-13-30(14-12-26)39-24-25-9-10-29(32(21-25)38-2)23-35-19-17-34(18-20-35)16-15-27-7-4-5-8-31(27)34/h4-5,7-16,21,28H,17-20,22-24H2,1-2H3,(H,36,37)/t28-/m0/s1
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| InChIKey |
QWYNYEMJGNQUMA-NDEPHWFRSA-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: PT04613, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1
Protein ID: PT02793, Free fatty acid receptor 1