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Compound Detail

CHEMBL3586741

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CN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(NC(=O)OC(C)(C)C)c3ccccc43)cc2c1

Basic Information

ChEMBL ID CHEMBL3586741
Phase Preclinical
Structure Type MOL
InChI Key MJJWWCYAIPMLHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

563.1
MW (Da)
6.59
ALogP
5
HBA
2
HBD
86.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35ClN4O4
MW 563.10
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine