General Information of the Compound
| Compound ID |
CP0496722
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chlorophenyl)-3-(3-isopropyl-2-methyl-5-oxo-1-(pyrimidin-5-yl)-2,5-dihydro-1H-pyrazol-4-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19ClN6O2
|
||||||||||||||||||
| Molecular Weight |
386.843
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2cncnc2)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19ClN6O2/c1-11(2)16-15(23-18(27)22-13-6-4-12(19)5-7-13)17(26)25(24(16)3)14-8-20-10-21-9-14/h4-11H,1-3H3,(H2,22,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVCCGTSQZAHGFP-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