General
Preferred name
cymarin
Synonyms
P&D ID
PD071803
CAS
508-77-0
Tags
drug
natural product
available
Drug Status
approved
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
548.3
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
6
Aromatic Ring Count
0
cLogP
2.43
TPSA
131.75
Fraction CSP3
0.87
Chiral centers
12.0
Largest ring
6.0
QED
0.27
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
