General
Preferred name
RB-1515 hydrochloride
Synonyms
Altretamine (hydrochloride) ()
ENT-50852 hydrochloride ()
WR-95704 hydrochloride ()
P&D ID
PD100756
CAS
2975-00-0
15468-34-5
Tags
natural product
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
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
246.14
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
0.49
TPSA
48.39
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
DNA alkylator/crosslinker
Pathway
Cell Cycle/DNA Damage
Source data
