General Information of the Compound
| Compound ID |
CP0425644
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| Compound Name |
(3S)-3-[4-[[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 |
C30H30N2O3S
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| Molecular Weight |
498.648
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cnc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1
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| InChI |
InChI=1S/C30H30N2O3S/c1-2-5-24(18-29(33)34)22-8-10-25(11-9-22)35-21-26-19-31-28(36-26)20-32-16-14-30(15-17-32)13-12-23-6-3-4-7-27(23)30/h3-4,6-13,19,24H,14-18,20-21H2,1H3,(H,33,34)/t24-/m0/s1
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| InChIKey |
LJLSDEMEFGKOKZ-DEOSSOPVSA-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