General Information of the Compound
| Compound ID |
CP0889437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-Bis-trifluoromethylphenyl)-3-[3-(4-bromo-2-methyl-2Hpyrazol-3-yl)-4-methoxyphenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15BrF6N4O2
|
||||||||||||||||||
| Molecular Weight |
537.258
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1c(Br)cnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15BrF6N4O2/c1-31-17(15(21)9-28-31)14-8-12(3-4-16(14)33-2)29-18(32)30-13-6-10(19(22,23)24)5-11(7-13)20(25,26)27/h3-9H,1-2H3,(H2,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LGBYNYFPEYOEJE-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C