General Information of the Compound
| Compound ID |
CP0396908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-bromo-4-chlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16BrClN2O
|
||||||||||||||||||
| Molecular Weight |
367.674
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16BrClN2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(18)6-11(12)17/h4-6H,7-8H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBBHGPDDCYKEJF-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor