General
Preferred name
TUAMINOHEPTANE
Synonyms
TUAMINOHEPTANE SULFATE ()
Tuamine Sulfate ()
2-Heptylamine ()
1-Methylhexylamine ()
Tuaminoheptanez ()
Tuamine ()
Heptamine ()
2-Aminoheptane ()
Tuaminoheptanez, Tuamine, Heptamine, 1-Methylhexylamine, 2-Heptylamine ()
NSC-1091 ()
Tuaminoheptane sulphate ()
NSC-27117 ()
Tuamine sulphate ()
P&D ID
PD012076
CAS
6411-75-2
123-82-0
68911-67-1
44652-67-7
3595-14-0
Tags
drug candidate
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 ]]
Compound Sets
10
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
Ki Database
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
115.14
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
1.91
TPSA
26.02
Fraction CSP3
1.0
Chiral centers
1.0
Largest ring
0.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
