General Information of the Compound
| Compound ID |
CP0546043
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| Compound Name |
(3S)-3-[4-[[4-methyl-5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C32H33NO3S
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| Molecular Weight |
511.687
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cc(C)c(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1
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| InChI |
InChI=1S/C32H33NO3S/c1-3-6-26(20-31(34)35)24-9-11-27(12-10-24)36-22-28-19-23(2)30(37-28)21-33-17-15-32(16-18-33)14-13-25-7-4-5-8-29(25)32/h4-5,7-14,19,26H,15-18,20-22H2,1-2H3,(H,34,35)/t26-/m0/s1
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| InChIKey |
WZOVXNKWRTVWKI-SANMLTNESA-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