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Compound Detail

CHEMBL1186280

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Cc1cc(C)c(-c2cc(-c3ccc(N(C)C)cc3)[s+]c(-c3ccc(N(C)C)cc3)c2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186280
Phase Preclinical
Structure Type MOL
InChI Key XBRLJACVZXSHFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.7
MW (Da)
8.09
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33N2S+
MW 453.68
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.25

Data from ChEMBL 36 via Core Engine