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Compound Detail

CHEMBL1183192

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CCn1c(=O)/c(=C/C=C2/N(C)c3ccccc3C2(C)C)s/c1=C\c1oc2c3ccccc3ccc2[n+]1CC

Basic Information

ChEMBL ID CHEMBL1183192
Phase Preclinical
Structure Type MOL
InChI Key NMOFAFPIBYRNGL-SZNZDIFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.7
MW (Da)
5.06
ALogP
5
HBA
0
HBD
42.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H32N3O2S+
MW 522.69
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine