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Compound Detail

CHEMBL24133

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COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCCC1

Basic Information

ChEMBL ID CHEMBL24133
Phase Preclinical
Structure Type MOL
InChI Key KQVFLNYZDGJFNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.9
MW (Da)
5.04
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClFN4O2
MW 430.91
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.62

Data from ChEMBL 36 via Core Engine