General
Preferred name
CRISNATOL
Synonyms
Crisnatol mesilate ()
CRISNATOL MESYLATE ()
BWA770U ()
BW A770U MESYLATE ()
Bw a770u mesilate ()
P&D ID
PD067725
CAS
96389-68-3
96389-69-4
Tags
available
drug candidate
Drug indication
Antineoplastic
Discovery agent
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
5
ChEMBL Drugs
DrugMAP
DrugMatrix
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
345.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
4
cLogP
3.98
TPSA
52.49
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/DNA Damage
Target
DNA/RNA Synthesis
Source data
