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Compound Detail

CHEMBL4117515

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CN1/C(=C/c2cc[n+](C)c3ccccc23)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117515
Phase Preclinical
Structure Type MOL
InChI Key XRXJDLHDDHBJOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
4.20
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N2S+
MW 305.43
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine