General Information of the Compound
| Compound ID |
CP0421742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15ClFN7
|
||||||||||||||||||
| Molecular Weight |
443.873
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Cl)ccc1Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15ClFN7/c24-17-4-1-16(19(25)10-17)13-31-22(7-8-27-31)14-3-6-20-23(9-14)32(30-29-20)18-5-2-15-12-26-28-21(15)11-18/h1-12H,13H2,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEMTTXQFNVFARI-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