General
Preferred name
NSC12971
Synonyms
NSC 12971 ()
NSC-12971 ()
4-Chlorophenylurea ()
P&D ID
PD158796
CAS
140-38-5
1967-26-6
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
170.02
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.83
TPSA
55.12
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Target
Factor Xa
Source data
