General Information of the Compound
| Compound ID |
CP0425647
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| Compound Name |
(3S)-3-[4-[[4-[(1-phenylspiro[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 |
C38H38N2O3
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| Molecular Weight |
570.733
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(c5ccccc45)c4ccccc4)CC3)cc2)cc1
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| InChI |
InChI=1S/C38H38N2O3/c1-2-8-32(25-37(41)42)31-17-19-34(20-18-31)43-27-30-15-13-29(14-16-30)26-39-23-21-38(22-24-39)28-40(33-9-4-3-5-10-33)36-12-7-6-11-35(36)38/h3-7,9-20,32H,21-28H2,1H3,(H,41,42)/t32-/m0/s1
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| InChIKey |
YPPVVNXEJUDPRL-YTTGMZPUSA-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