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Compound Detail

CHEMBL3140130

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CCn1c(=O)/c(=C2\Sc3cc(OC)ccc3N2C)s/c1=C\c1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

Basic Information

ChEMBL ID CHEMBL3140130
Phase Preclinical
Structure Type MOL
InChI Key WOBIABMKPOLBMB-MOWVDAPGSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

724.0
MW (Da)
3.76
ALogP
9
HBA
3
HBD
108.6
PSA (Ų)
0.12
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H47N6O4S3+
MW 724.01
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine