General Information of the Compound
| Compound ID |
CP0422240
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| Compound Name |
(3S)-3-[4-[[4-methyl-2-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-5-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C31H32N2O3S
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| Molecular Weight |
512.675
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1
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| InChI |
InChI=1S/C31H32N2O3S/c1-3-6-25(19-30(34)35)23-9-11-26(12-10-23)36-21-28-22(2)32-29(37-28)20-33-17-15-31(16-18-33)14-13-24-7-4-5-8-27(24)31/h4-5,7-14,25H,15-21H2,1-2H3,(H,34,35)/t25-/m0/s1
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| InChIKey |
IBBXYPXDPQQROL-VWLOTQADSA-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
Protein ID: PT02522, Free fatty acid receptor 1