General
Preferred name
NN-dimethyl-D-erythrosphingosine
Synonyms
P&D ID
PD048430
CAS
122314-67-4
Tags
drug candidate
natural product
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
N,N-Dimethylsphingosine is a natural metabolite. It can be produced synthetically.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
327.31
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
16
Ring Count
0
Aromatic Ring Count
0
cLogP
4.53
TPSA
43.7
Fraction CSP3
0.9
Chiral centers
2.0
Largest ring
0.0
QED
0.32
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data