General
Preferred name
PMID9003518C4
Synonyms
compound 4 [PMID: 9003518] ()
P&D ID
PD047298
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()] ]]
Compound Sets
2
DrugMAP
Guide to Pharmacology
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
432.34
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
16
Ring Count
1
Aromatic Ring Count
0
cLogP
9.21
TPSA
12.53
Fraction CSP3
0.71
Chiral centers
1.0
Largest ring
3.0
QED
0.14
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data