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Compound Detail

CHEMBL3776013

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O=C1Nc2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2C12CCNCC2

Basic Information

ChEMBL ID CHEMBL3776013
Phase Preclinical
Structure Type MOL
InChI Key ARPLXTCOWOQZRH-LPYMAVHISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.88
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23FN2O2
MW 426.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine