General
Preferred name
TIMELOTEM
Synonyms
P&D ID
PD067741
CAS
105138-32-7
96306-34-2
Tags
drug candidate
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
2
ChEMBL Drugs
DrugMatrix
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
315.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
2
cLogP
2.86
TPSA
18.84
Fraction CSP3
0.35
Chiral centers
1.0
Largest ring
7.0
QED
0.81
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
