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Compound Detail

CHEMBL3950333

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O=C(COc1ccc(Cl)cc1)Nc1cccc2c(S(=O)(=O)Nc3nccs3)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3950333
Phase Preclinical
Structure Type MOL
InChI Key MQNLQFNPDWGMJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.0
MW (Da)
4.77
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClN3O4S2
MW 473.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.14

Data from ChEMBL 36 via Core Engine