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Compound Detail

CHEMBL432271

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CC1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1

Basic Information

ChEMBL ID CHEMBL432271
Phase Preclinical
Structure Type MOL
InChI Key JFKKZPKIWBQQMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

587.7
MW (Da)
4.47
ALogP
8
HBA
1
HBD
125.3
PSA (Ų)
0.29
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 C33H33N9O2
MW 587.69
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine