General
Preferred name
KETOCAINE
Synonyms
Rec 7-0518 ()
Ketocaina ()
P&D ID
PD102841
CAS
1092-46-2
Tags
available
drug candidate
Drug Status
investigational
experimental
Max Phase
2.0
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
291.22
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
1
cLogP
4.17
TPSA
29.54
Fraction CSP3
0.61
Chiral centers
0.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
