General Information of the Compound
| Compound ID |
CP0432166
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| Compound Name |
5-[2-[(2R)-6-(5-cyclopropyloxy-2-fluoro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]ethyl]-2H-tetrazole
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| Structure |
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| Formula |
C22H23FN4O3
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| Molecular Weight |
410.449
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| Canonical SMILES |
COc1cc(OC2CC2)cc(c1F)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1
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| InChI |
InChI=1S/C22H23FN4O3/c1-28-20-12-17(29-15-5-6-15)11-18(22(20)23)13-3-8-19-14(10-13)2-4-16(30-19)7-9-21-24-26-27-25-21/h3,8,10-12,15-16H,2,4-7,9H2,1H3,(H,24,25,26,27)/t16-/m1/s1
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| InChIKey |
HDJUXRGWNBPXKN-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