General
Preferred name
Octanoyl-Coenzyme A
Synonyms
Octanoyl Coenzyme A (sodium salt) ()
Octanoyl-Coenzyme A (sodium salt) ()
P&D ID
PD059760
Tags
drug candidate
natural product
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
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[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
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[[ compound.targets[tid].gene_name ]]
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free of charge
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
893.22
Hydrogen Bond Acceptors
19
Hydrogen Bond Donors
9
Rotatable Bonds
25
Ring Count
3
Aromatic Ring Count
2
cLogP
1.03
TPSA
363.63
Fraction CSP3
0.72
Chiral centers
7.0
Largest ring
6.0
QED
0.05
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
