General Information of the Compound
Compound ID
CP0473086
Compound Name
3H-indeno[2,1-c]pyrazol-4-one
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Structure
Formula
C10H6N2O
Molecular Weight
170.171
Canonical SMILES
O=C1c2ccccc2-c2cn[nH]c12
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InChI
InChI=1S/C10H6N2O/c13-10-7-4-2-1-3-6(7)8-5-11-12-9(8)10/h1-5H,(H,11,12)
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InChIKey
BPMLDDSWSPCZKS-UHFFFAOYSA-N
Physicochemical Property
logP
1.6211
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
45.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 11084312
SID: 16154487
ChEMBL ID
CHEMBL4638844
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 > 30000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS