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Compound Detail

CHEMBL1186924

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CCCN(CCC)c1ccc2nc3ccc(N4CCSCC4)cc3[o+]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186924
Phase Preclinical
Structure Type MOL
InChI Key BHICOBSVIQJWHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.6
MW (Da)
5.44
ALogP
4
HBA
0
HBD
30.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N3OS+
MW 382.55
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine