General
Preferred name
PD088415
Synonyms
6-Chloro-9H-purine ()
6-Chloropurine ()
P&D ID
PD088415
CAS
87-42-3
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
4
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
154.0
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
1.01
TPSA
54.46
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data