General Information of the Compound
Compound ID
CP0408876
Compound Name
2-(1H-indazol-3-yl)-3H-benzimidazol-5-ol
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Structure
Formula
C14H10N4O
Molecular Weight
250.261
Canonical SMILES
Oc1ccc2nc([nH]c2c1)-c1n[nH]c2ccccc12
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InChI
InChI=1S/C14H10N4O/c19-8-5-6-11-12(7-8)16-14(15-11)13-9-3-1-2-4-10(9)17-18-13/h1-7,19H,(H,15,16)(H,17,18)
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InChIKey
GBDUVEXHPMNVRW-UHFFFAOYSA-N
Physicochemical Property
logP
2.8118
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
77.59
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
19

"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).

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PubChem ID
CID: 136254164
ChEMBL ID
CHEMBL2017550
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: PT01314, Tyrosine-protein kinase ITK/TSK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 200 nM
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   LI
   LO
   TS