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Compound Detail

CHEMBL1617424

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CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2ccc3sccc3c21

Basic Information

ChEMBL ID CHEMBL1617424
Phase Preclinical
Structure Type MOL
InChI Key HYTRMIPQAWZIIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.6
MW (Da)
6.60
ALogP
3
HBA
0
HBD
7.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N2S2+
MW 403.60
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine