General
Preferred name
METABUTETHAMINE
Synonyms
METABUTETHAMINE HYDROCHLORIDE ()
NSC-41532 ()
Metabutethamine hcl ()
P&D ID
PD073670
CAS
4439-25-2
553-58-2
Tags
drug candidate
natural product
drug
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 ]]
Compound Sets
4
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
236.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
1
Aromatic Ring Count
1
cLogP
1.67
TPSA
64.35
Fraction CSP3
0.46
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
