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Compound Detail

CHEMBL5858877

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Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(-c3ccc(F)cc3)[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5858877
Phase Preclinical
Structure Type MOL
InChI Key XLSIOYNNZREQPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

535.5
MW (Da)
5.83
ALogP
6
HBA
3
HBD
109.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H23F2N5O2
MW 535.55
Aromatic Rings 6
Heavy Atoms 40
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine