General Information of the Compound
| Compound ID |
CP0408784
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| Compound Name |
8-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxylic acid
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| Structure |
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| Formula |
C26H26O4
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| Molecular Weight |
402.49
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc3CC(CCOc3c2)C(O)=O)c1
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| InChI |
InChI=1S/C26H26O4/c1-17-5-3-6-18(2)25(17)21-8-4-7-19(13-21)16-30-23-10-9-20-14-22(26(27)28)11-12-29-24(20)15-23/h3-10,13,15,22H,11-12,14,16H2,1-2H3,(H,27,28)
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| InChIKey |
LPTAIEHCYZVDKZ-UHFFFAOYSA-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: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1