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Compound Detail

CHEMBL1178330

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C[N+](C)(C)NCCN1c2ccccc2Sc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178330
Phase Preclinical
Structure Type MOL
InChI Key ZVYLQFNJTFRZHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.9
MW (Da)
4.15
ALogP
3
HBA
1
HBD
15.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21ClN3S+
MW 334.90
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine