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Compound Detail

CHEMBL1186536

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CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186536
Phase Preclinical
Structure Type MOL
InChI Key YQKYZMKIRHBJGF-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.97
ALogP
2
HBA
2
HBD
27.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2S
MW 270.40
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine