General Information of the Compound
| Compound ID |
CP0422249
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| Compound Name |
(3S)-3-[4-[[4-[[1-methyl-5-(trifluoromethyl)spiro[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 |
C34H35F3N2O3
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| Molecular Weight |
576.659
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(cc45)C(F)(F)F)CC3)cc2)cc1
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| InChI |
InChI=1S/C34H35F3N2O3/c1-3-4-27(19-32(40)41)26-9-12-29(13-10-26)42-22-25-7-5-24(6-8-25)21-39-17-15-33(16-18-39)23-38(2)31-14-11-28(20-30(31)33)34(35,36)37/h5-14,20,27H,15-19,21-23H2,1-2H3,(H,40,41)/t27-/m0/s1
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| InChIKey |
KOQJZRRRDHXPJJ-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