General Information of the Compound
| Compound ID |
CP0439038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(5-fluoroisoindoline-2-carbonyl)-1H-pyrazol-4-yl)acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H17Cl2FN4O
|
||||||||||||||||||
| Molecular Weight |
491.353
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2CN(Cc2c1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H17Cl2FN4O/c27-19-8-5-16(6-9-19)25-21(11-12-30)24(31-33(25)23-4-2-1-3-22(23)28)26(34)32-14-17-7-10-20(29)13-18(17)15-32/h1-10,13H,11,14-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DURFBHYFPDMOCA-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