General
Preferred name
DOMITROBAN
Synonyms
[3H]S-145 ()
P&D ID
PD049283
CAS
112966-96-8
Tags
drug
Drug indication
Thrombosis
Drug Status
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 ]]
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
377.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
1
cLogP
3.58
TPSA
83.47
Fraction CSP3
0.55
Chiral centers
4.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
