General
Preferred name
SANTOFLEX(R) IP
Synonyms
N-ISOPROPYL-N'-PHENYL-1,4-PHENYLENEDIAMINE ()
4-(Isopropylamino)diphenylamine ()
P&D ID
PD068078
CAS
101-72-4
Tags
natural product
drug
available
Drug Status
experimental
approved
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 ]]
Cell lines
2
Organisms
0
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
226.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
4.25
TPSA
24.06
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.81
QED
0.81
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
