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Compound Detail

CHEMBL1187620

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

Basic Information

ChEMBL ID CHEMBL1187620
Phase Preclinical
Structure Type MOL
InChI Key TYMPWFMJMZBIIE-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
4.36
ALogP
2
HBA
2
HBD
27.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2S
MW 284.43
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine