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Compound Detail

CHEMBL1807086

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COc1ccc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807086
Phase Preclinical
Structure Type MOL
InChI Key NIUFOUVNYINZHM-VZKVSVTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

592.3
MW (Da)
8.79
ALogP
5
HBA
0
HBD
63.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17Cl2F6N3O3
MW 592.32
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
21550697 10.1016/j.ejmech.2011.04.024 No relevant target 1
21550697 10.1016/j.ejmech.2011.04.024 HeLa 1

Data from ChEMBL 36 via Core Engine