General Information of the Compound
Compound ID
CP0164975
Compound Name
6-Cyclohexyl-4-hydroxypyridazin-3(2H)-one
    Show/Hide
Structure
Formula
C10H14N2O2
Molecular Weight
194.234
Canonical SMILES
Oc1cc(n[nH]c1=O)C1CCCCC1
    Show/Hide
InChI
InChI=1S/C10H14N2O2/c13-9-6-8(11-12-10(9)14)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)(H,12,14)
    Show/Hide
InChIKey
VVTXBSWKKUAAHP-UHFFFAOYSA-N
Physicochemical Property
logP
1.5232
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
65.98
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71655535
ChEMBL ID
CHEMBL2338792
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: PT06971, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02547, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 300 nM
Protein ID: PT03113, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS