General Information of the Compound
| Compound ID |
CP0422248
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| Compound Name |
(3S)-3-[4-[[4-[(1,5-dimethylspiro[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 |
C34H38N2O3
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| Molecular Weight |
522.689
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(C)cc45)CC3)cc2)cc1
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| InChI |
InChI=1S/C34H38N2O3/c1-4-5-29(21-33(37)38)28-11-13-30(14-12-28)39-23-27-9-7-26(8-10-27)22-36-18-16-34(17-19-36)24-35(3)32-15-6-25(2)20-31(32)34/h6-15,20,29H,16-19,21-24H2,1-3H3,(H,37,38)/t29-/m0/s1
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| InChIKey |
LCBHFUFPPJJGPP-LJAQVGFWSA-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: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1