General Information of the Compound
| Compound ID |
CP0432168
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| Compound Name |
CHEMBL3907996
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| Formula |
C24H27FN4O4
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| Molecular Weight |
454.502
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| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc(OC)c(F)c(c1)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1
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| InChI |
InChI=1S/C24H27FN4O4/c1-30-17-10-18(11-17)32-19-12-20(24(25)22(13-19)31-2)14-4-7-21-15(9-14)3-5-16(33-21)6-8-23-26-28-29-27-23/h4,7,9,12-13,16-18H,3,5-6,8,10-11H2,1-2H3,(H,26,27,28,29)/t16-,17-,18-/m1/s1
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| InChIKey |
BFKWBUCSYXZIDB-KZNAEPCWSA-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