General Information of the Compound
| Compound ID |
CP0398696
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3916986
Show/Hide
|
||||||||||||||||||
| Formula |
C23H24F2N4O3
|
||||||||||||||||||
| Molecular Weight |
442.466
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(c1)-c1ccc2O[C@@H](CCc3nnn[nH]3)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24F2N4O3/c1-30-16-9-17(10-16)31-18-11-19(23(25)20(24)12-18)13-3-6-21-14(8-13)2-4-15(32-21)5-7-22-26-28-29-27-22/h3,6,8,11-12,15-17H,2,4-5,7,9-10H2,1H3,(H,26,27,28,29)/t15-,16-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYHNHEJRTXTPSB-BRWVUGGUSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4