General Information of the Compound
| Compound ID |
CP0399019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[(2,4-dichlorophenyl)methyl]-5-propan-2-yloxypyrazol-3-yl]-N-propylsulfonylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25Cl2N3O4S
|
||||||||||||||||||
| Molecular Weight |
462.399
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25Cl2N3O4S/c1-4-9-29(26,27)23-18(25)8-7-16-11-19(28-13(2)3)22-24(16)12-14-5-6-15(20)10-17(14)21/h5-6,10-11,13H,4,7-9,12H2,1-3H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLIUJNUKZIEWRX-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