General
Preferred name
N1,N8-Diacetylspermidine
Synonyms
N1,N8-Diacetylspermidine (hydrochloride) ()
P&D ID
PD076470
CAS
178244-42-3
82414-35-5
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION N1,N8-Diacetylspermidine hydrochloride is a polyamines in the human urine[1]. N1,N8-Diacetylspermidine hydrochloride is useful as prognostic indicators after treatment and during follow-up examination of cancer patients[2].
DESCRIPTION N1,N8-Diacetylspermidine is a polyamines in the human urine[1]. N1,N8-Diacetylspermidine is useful as prognostic indicators after treatment and during follow-up examination of cancer patients[2].
PRICE 199
DESCRIPTION N1,N8-Diacetylspermidine is a polyamine found in human urine.N1,N8-Diacetylspermidine can be used as a marker for cancer and malignancy.
Compound Sets
2
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
229.18
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
0
Aromatic Ring Count
0
cLogP
0.02
TPSA
70.23
Fraction CSP3
0.82
Chiral centers
0.0
Largest ring
0.0
QED
0.49
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data