General
Preferred name
Trifluorothymidine
Synonyms
trifluridine ()
P&D ID
PD001241
CAS
70-00-8
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Thymidylate synthase inhibitor; induces DNA fragmentation (Tocriscreen Plus)
DESCRIPTION Histone demethylase inhibitor; cell permeable (Tocris Bioactive Compound Library)
Compound Sets
3
The Spectrum Collection
Tocris Bioactive Compound Library
4460
Tocriscreen Plus
4460
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
296.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.8
TPSA
104.55
Fraction CSP3
0.6
Chiral centers
3.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Primary Target
Thymidylate Synthetase
MOA
Inhibitor
Source data