General
Preferred name
Arlacel 83
Synonyms
N-cyclohexylcyclohexanamine ()
P&D ID
PD014016
CAS
101-83-7
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of estrogen receptor alpha signaling. (Class of assay: confirmatory) (TargetMol Bioactive Compound Library)
Compound Sets
3
Drug Repurposing Hub
NPC Screening Collection
TargetMol Bioactive Compound Library
R035-0048
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
181.18
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
0
cLogP
3.24
TPSA
12.03
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data