General
Preferred name
ICX5609070
Synonyms
Para-tertiary-butilphenol-formaldehyde resin ()
4-tert-Butylphenol ()
P&D ID
PD014690
CAS
98-54-4
27178-34-3
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 An allosteric modulator of ionotropic gamma aminobutyric acid a receptor. It is also an agonist of estrogen receptor. (Enamine Bioactive Compounds)
Cell lines
1
Organisms
0
Compound Sets
4
Drug Repurposing Hub
DrugMatrix
Enamine Bioactive Compounds
NPC Screening Collection
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
150.1
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
2.69
TPSA
20.23
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data