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Compound Detail

CHEMBL1331762

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CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)s1

Basic Information

ChEMBL ID CHEMBL1331762
Phase Preclinical
Structure Type MOL
InChI Key RHZVORXWIUUIJZ-WJDWOHSUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

533.0
MW (Da)
3.13
ALogP
9
HBA
3
HBD
150.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClN6O5S2
MW 532.99
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -2.31

Data from ChEMBL 36 via Core Engine