General Information of the Compound
| Compound ID |
CP0414409
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| Compound Name |
3-[(2R)-6-(2-cyclobutyloxy-5-fluoropyridin-4-yl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid
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| Structure |
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| Formula |
C21H22FNO4
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| Molecular Weight |
371.408
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| Canonical SMILES |
OC(=O)CC[C@H]1CCc2cc(ccc2O1)-c1cc(OC2CCC2)ncc1F
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| InChI |
InChI=1S/C21H22FNO4/c22-18-12-23-20(27-15-2-1-3-15)11-17(18)13-5-8-19-14(10-13)4-6-16(26-19)7-9-21(24)25/h5,8,10-12,15-16H,1-4,6-7,9H2,(H,24,25)/t16-/m1/s1
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| InChIKey |
MHJAABXYHDKRBJ-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