General Information of the Compound
Compound ID
CP0179153
Compound Name
O-[cyclohexyl(phenyl)methyl]hydroxylamine;hydrochloride
    Show/Hide
Structure
Formula
C13H20ClNO
Molecular Weight
241.762
Canonical SMILES
Cl.NOC(C1CCCCC1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C13H19NO.ClH/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1,3-4,7-8,12-13H,2,5-6,9-10,14H2;1H
    Show/Hide
InChIKey
KWPXXPZXDFELPW-UHFFFAOYSA-N
Physicochemical Property
logP
3.6201
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 155533149
ChEMBL ID
CHEMBL4468567
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 21000 nM
   TI
   LI
   LO
   TS