General
Preferred name
Piprinhydrinate
Synonyms
8-CHLOROTHEOPHYLLINE ()
P&D ID
PD013887
CAS
85-18-7
Tags
natural product
drug candidate
available
Drug Status
experimental
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
2
DrugBank
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
214.03
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
-0.39
TPSA
72.68
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
