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Compound Detail

CHEMBL3644824

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Cn1c(=O)c(Cl)c(Nc2ccc(Br)cc2Cl)c2c(=O)n(CCCO)cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3644824
Phase Preclinical
Structure Type MOL
InChI Key NHKPSUOISCEHMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.1
MW (Da)
3.29
ALogP
7
HBA
2
HBD
89.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15BrCl2N4O3
MW 474.14
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.31

Data from ChEMBL 36 via Core Engine