General Information of the Compound
| Compound ID |
CP0511744
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| Compound Name |
(3S)-3-[4-[[4-[(5-methoxy-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C34H38N2O4
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| Molecular Weight |
538.688
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| Canonical SMILES |
COc1ccc2N(C)CC3(CCN(Cc4ccc(COc5ccc(cc5)[C@H](CC(O)=O)C#CC)cc4)CC3)c2c1
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| InChI |
InChI=1S/C34H38N2O4/c1-4-5-28(20-33(37)38)27-10-12-29(13-11-27)40-23-26-8-6-25(7-9-26)22-36-18-16-34(17-19-36)24-35(2)32-15-14-30(39-3)21-31(32)34/h6-15,21,28H,16-20,22-24H2,1-3H3,(H,37,38)/t28-/m0/s1
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| InChIKey |
QYMPSBVGDMAOKX-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