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Compound Detail

CHEMBL1807914

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CCS(=O)(=O)c1ccc2nn(-c3ccc(Cl)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807914
Phase Preclinical
Structure Type MOL
InChI Key YVQCPJOAJPHLKK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.8
MW (Da)
2.87
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12ClN3O2S
MW 321.79
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.32

Literature References

PubMed DOI Target Context # Activities
21741236 10.1016/j.bmcl.2011.06.047 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine