General Information of the Compound
| Compound ID |
CP0274397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(benzo[d][1,3]dioxol-5-yl)-3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O4
|
||||||||||||||||||
| Molecular Weight |
366.377
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(NC(=O)Nc2ccc3OCOc3c2)c(=O)n(-c2ccccc2)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O4/c1-12-17(18(24)23(22(12)2)14-6-4-3-5-7-14)21-19(25)20-13-8-9-15-16(10-13)27-11-26-15/h3-10H,11H2,1-2H3,(H2,20,21,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHKRXHSCIHVNHM-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