General Information of the Compound
Compound ID
CP0384419
Compound Name
1-(1H-indazol-6-yl)-6-(2-methylpyrazol-3-yl)benzotriazole
    Show/Hide
Structure
Formula
C17H13N7
Molecular Weight
315.34
Canonical SMILES
Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1
    Show/Hide
InChI
InChI=1S/C17H13N7/c1-23-16(6-7-19-23)11-3-5-14-17(8-11)24(22-21-14)13-4-2-12-10-18-20-15(12)9-13/h2-10H,1H3,(H,18,20)
    Show/Hide
InChIKey
QRCKAUVBYWVPLO-UHFFFAOYSA-N
Physicochemical Property
logP
2.6973
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
77.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
24

"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
CID: 146433266
ChEMBL ID
CHEMBL4593262
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: PT03381, 5'-nucleotidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 9200 nM
   TI
   LI
   LO
   TS