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Compound Detail

CHEMBL1187842

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O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21

Basic Information

ChEMBL ID CHEMBL1187842
Phase Preclinical
Structure Type MOL
InChI Key RJXYBXCQVVCCAR-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.18
ALogP
5
HBA
0
HBD
59.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21FN2O3
MW 368.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine