General Information of the Compound
Compound ID
CP0509003
Compound Name
6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole
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Structure
Formula
C17H14N4
Molecular Weight
274.327
Canonical SMILES
Cn1cc(cn1)-c1cc(-c2ccccc2)c2cn[nH]c2c1
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InChI
InChI=1S/C17H14N4/c1-21-11-14(9-19-21)13-7-15(12-5-3-2-4-6-12)16-10-18-20-17(16)8-13/h2-11H,1H3,(H,18,20)
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InChIKey
OKFWGZUWZRRFJY-UHFFFAOYSA-N
Physicochemical Property
logP
3.6304
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
46.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 127047126
ChEMBL ID
CHEMBL3799020
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: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 24000 nM
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