General Information of the Compound
| Compound ID |
CP0421741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1H-indazol-6-yl)-6-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]benzotriazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16N8
|
||||||||||||||||||
| Molecular Weight |
392.426
|
||||||||||||||||||
| Canonical SMILES |
C(c1cccnc1)n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16N8/c1-2-15(12-23-8-1)14-29-21(7-9-25-29)16-4-6-19-22(10-16)30(28-27-19)18-5-3-17-13-24-26-20(17)11-18/h1-13H,14H2,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBDUYLLKMYVUNT-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