General
Preferred name
LINURON
Synonyms
P&D ID
PD163992
CAS
330-55-2
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 Linuron is a phenylurea herbicide that is widely used to control the growth of grass and weeds in various agriculture crops and in orchards. Linuron is a photosystem II inhibitor. Linuron is also a competitive androgen receptor (AR) antagonist with a Ki of 100 ¦ÌM. Linuron shows reproductive toxicity in animals that acts as an endocrine disruptor[1][2][3][4].
Compound Sets
2
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
248.01
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
3.02
TPSA
41.57
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Androgen Receptor
Pathway
Vitamin D Related/Nuclear Receptor
Source data