General
Preferred name
Azulene
Synonyms
Bicyclo[5.3.0]Decapentaene ()
Cyclopentacycloheptene ()
P&D ID
PD157986
CAS
275-51-4
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 Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry[1][2][3].
PRICE 29
DESCRIPTION Azulene (Bicyclo[5.3.0]Decapentaene) is a natural product. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-B0055
ReFrame library
TargetMol Bioactive Compound Library
T8116
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
128.06
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
0
cLogP
2.79
TPSA
0.0
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
7.0
QED
0.51
QED
0.51
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
HIV
Pathway
Microbiology/virology
Proteases/Proteasome
Anti-infection
Source data