General
Preferred name
DIPHENYLUREA
Synonyms
1,3-DIPHENYLUREA ()
P&D ID
PD002130
CAS
102-07-8
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION 1, 3-Diphenylurea is involved with Epoxide hydrolase activity.
DESCRIPTION Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent assay relative to control (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
1
Compound Sets
7
Cayman Chemical Bioactives
31323
DrugBank
DB07496
DrugMAP
DMI4H05
EU-OPENSCREEN Bioactive Compound Library
EOS102009
TargetMol Bioactive Compound Library
1165-0515
The Spectrum Collection
ZINC Tool Compounds
ZINC000012416741
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
212.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
3.33
TPSA
41.13
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data