General Information of the Compound
| Compound ID |
CP0533911
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[2-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C21H15F4N5O2
|
||||||||||||||||||
| Molecular Weight |
445.376
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)-n1nc(cc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15F4N5O2/c22-12-3-1-4-13(9-12)30-14(10-18(29-30)21(23,24)25)11-26-20(32)28-17-6-2-5-16-15(17)7-8-19(31)27-16/h1-10H,11H2,(H,27,31)(H2,26,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFHIPPKVVCUJTD-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 | |||||||||||||||||||
| 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