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Compound Detail

CHEMBL4294835

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Cn1cnc(-c2cc(-c3nn[nH]c3Cl)ccn2)c1-c1ccc(F)cc1OCC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4294835
Phase Preclinical
Structure Type MOL
InChI Key FQSAHNHNKGGKPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.9
MW (Da)
4.52
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClFN6O
MW 424.87
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine