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Compound Detail

CHEMBL1189594

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N=C(N)N1CCCC(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)C1

Basic Information

ChEMBL ID CHEMBL1189594
Phase Preclinical
Structure Type MOL
InChI Key WWJJOLLOSVQTGQ-PIFIWZBESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
2.45
ALogP
4
HBA
4
HBD
128.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O3S
MW 493.63
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine