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Compound Detail

CHEMBL1741081

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CCc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1741081
Phase Preclinical
Structure Type MOL
InChI Key OEEJYMAIKRMZLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
3.60
ALogP
6
HBA
3
HBD
126.6
PSA (Ų)
0.34
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 C22H18N2O5S
MW 422.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine