General
Preferred name
Kalypnon
Synonyms
CROTYLBARBITAL ()
(E)-Crotylbarbital ()
P&D ID
PD127615
CAS
28360-89-6
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 (E)-Crotylbarbital (Kalypnon), an isomer of Crotylbarbital, is a barbiturate derivative that has sedative, hypnotic, and anticonvulsant effects. (E)-Crotylbarbital can be used in studies to promote mental stability and sleep. (TargetMol Bioactive Compound Library)
Compound Sets
2
ReFrame library
TargetMol Bioactive Compound Library
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
210.1
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
0
cLogP
0.71
TPSA
75.27
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data