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Compound Detail

CHEMBL1183851

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CCN1/C(=C/C=c2\s/c(=C\C3=[N+](CC)C4C=Cc5ccccc5C4S3)n(CC)c2=O)Sc2ccc3ccccc3c21

Basic Information

ChEMBL ID CHEMBL1183851
Phase Preclinical
Structure Type MOL
InChI Key HCZMYZQEAXQBEE-HNXTVNFMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

594.9
MW (Da)
6.43
ALogP
6
HBA
0
HBD
28.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H32N3OS3+
MW 594.85
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine