General
Preferred name
CGP 4832
Synonyms
P&D ID
PD077650
Tags
drug candidate
natural product
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
1
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
935.44
Hydrogen Bond Acceptors
17
Hydrogen Bond Donors
4
Rotatable Bonds
7
Ring Count
7
Aromatic Ring Count
1
cLogP
3.55
TPSA
237.0
Fraction CSP3
0.59
Chiral centers
10.0
Largest ring
24.0
QED
0.23
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
