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Compound Detail

CHEMBL4803564

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O=C(CCC(=O)O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1)OC1=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL4803564
Phase Preclinical
Structure Type MOL
InChI Key VFEHADFJEIUUFS-QUULTDDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

827.2
MW (Da)
10.28
ALogP
8
HBA
1
HBD
111.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H37ClF6N2O6
MW 827.22
Aromatic Rings 4
Heavy Atoms 58
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine