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Compound Detail

CHEMBL97054

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CC(NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97054
Phase Preclinical
Structure Type MOL
InChI Key DRUWRKDQVHKKLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.9
MW (Da)
4.04
ALogP
8
HBA
2
HBD
123.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN6O4
MW 456.89
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.83

Data from ChEMBL 36 via Core Engine