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Compound Detail

CHEMBL1192217

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CCOC(=O)CN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1

Basic Information

ChEMBL ID CHEMBL1192217
Phase Preclinical
Structure Type MOL
InChI Key KNLPYDUYVMRQCH-CYFREDJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

586.7
MW (Da)
1.15
ALogP
7
HBA
4
HBD
175.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N6O6S
MW 586.72
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -1.26

Data from ChEMBL 36 via Core Engine