General Information of the Compound
| Compound ID |
CP0414856
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| Compound Name |
3-[(2R)-6-(3-chloro-5-cyclobutyloxy-2-fluorophenyl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid
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| Structure |
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| Formula |
C22H22ClFO4
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| Molecular Weight |
404.865
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| Canonical SMILES |
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC2CCC2)cc(Cl)c1F
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| InChI |
InChI=1S/C22H22ClFO4/c23-19-12-17(27-15-2-1-3-15)11-18(22(19)24)13-5-8-20-14(10-13)4-6-16(28-20)7-9-21(25)26/h5,8,10-12,15-16H,1-4,6-7,9H2,(H,25,26)/t16-/m1/s1
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| InChIKey |
JJWUOOVUICPONN-MRXNPFEDSA-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: PT04427, Free fatty acid receptor 4