General Information of the Compound
| Compound ID |
CP0483741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,4-dichlorophenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
295.169
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(c2CCCC(=O)c12)-c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12Cl2N2O/c1-8-14-12(3-2-4-13(14)19)18(17-8)11-6-5-9(15)7-10(11)16/h5-7H,2-4H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTLGLJSTYKQNEY-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