General
Preferred name
Neocitrullamon
Synonyms
AMINO(DIPHENYLHYDANTOIN) VALERIC ACID ()
P&D ID
PD073691
CAS
38964-88-4
Tags
drug
Drug Status
approved
experimental
Drug indication
Epilepsy
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
367.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
2
cLogP
1.67
TPSA
112.73
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
