General Information of the Compound
Compound ID
CP0524625
Compound Name
3-methylindeno[2,1-c]pyrazol-4-one
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Structure
Formula
C11H8N2O
Molecular Weight
184.198
Canonical SMILES
Cn1ncc2-c3ccccc3C(=O)c12
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InChI
InChI=1S/C11H8N2O/c1-13-10-9(6-12-13)7-4-2-3-5-8(7)11(10)14/h2-6H,1H3
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InChIKey
YAFXCRLTVRLBST-UHFFFAOYSA-N
Physicochemical Property
logP
1.6315
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
34.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 156015877
ChEMBL ID
CHEMBL4640990
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: PT02791, Hypoxia-inducible factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 8800 nM
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