General
Preferred name
PMID19191557C32
Synonyms
compound 32 [PMID: 19191557] ()
P&D ID
PD047028
Tags
drug candidate
Drug indication
Discovery agent
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 ChEMBL represents this compound without the charges. (GtoPdb)
Compound Sets
2
DrugMAP
DMH8QRI
Guide to Pharmacology
3123
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
423.03
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
0
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
3
cLogP
2.33
TPSA
142.76
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data