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Compound Detail

CHEMBL1207423

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Nc1c(S(=O)(=O)O)cc(Nc2cccc([N+](=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O

Basic Information

ChEMBL ID CHEMBL1207423
Phase Preclinical
Structure Type MOL
InChI Key BFYKRGJJESUQPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
2.94
ALogP
8
HBA
3
HBD
169.7
PSA (Ų)
0.19
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 C20H13N3O7S
MW 439.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine