General
Preferred name
CEPHAELINE
Synonyms
Cephaeline dihydrochloride heptahydrate ()
(-)-Cephaeline (dihydrochloride) ()
NSC 32944 ()
(-)-Cephaeline ()
NSC 32944 (free base) ()
Cephaeline (dihydrochloride) ()
CEPHAELINE DIHYDROCHLORIDE ()
P&D ID
PD043693
CAS
483-17-0
6487-30-5
5853-29-2
Tags
available
drug candidate
Drug indication
Accidental poisoning
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
3
Organisms
0
Compound Sets
6
Cayman Chemical Bioactives
20916
DrugMAP
DM1ZFCS
MedChem Express Bioactive Compound Library
HY-N4118
HY-N2260
Other bioactive compounds
ReFrame library
TargetMol Bioactive Compound Library
TN1480
External IDs
48
Properties
(calculated by RDKit )
Molecular Weight
466.28
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
2
cLogP
4.64
TPSA
63.19
Fraction CSP3
0.57
Chiral centers
4.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology/virology
Metabolic Enzyme/Protease
Anti-infection
Apoptosis
Immunology/Inflammation
NF-κB
Target
Influenza Virus
Cytochrome P450
Ferroptosis
Filovirus
Flavivirus
Keap1-Nrf2
Reactive Oxygen Species
Source data