General Information of the Compound
| Compound ID |
CP0532759
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| Compound Name |
(3S)-3-[4-[[3-chloro-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Formula |
C33H32ClNO3
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| Molecular Weight |
526.076
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(Cl)c2)cc1
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| InChI |
InChI=1S/C33H32ClNO3/c1-2-5-27(21-32(36)37)25-10-12-29(13-11-25)38-23-24-8-9-28(31(34)20-24)22-35-18-16-33(17-19-35)15-14-26-6-3-4-7-30(26)33/h3-4,6-15,20,27H,16-19,21-23H2,1H3,(H,36,37)/t27-/m0/s1
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| InChIKey |
QBCNRSGMLSPYQX-MHZLTWQESA-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