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Compound Detail

CHEMBL1197747

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CC[n+]1c(C=C2C=C(C)OC(C)=C2)sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197747
Phase Preclinical
Structure Type MOL
InChI Key SOKVZVCQWCFFFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
4.43
ALogP
2
HBA
0
HBD
13.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18NOS+
MW 284.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine