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Compound Detail

CHEMBL5499809

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CCCCCCCCOP(=O)(O)OC1=Cc2ccccc2Sc2c(OC)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499809
Phase Preclinical
Structure Type MOL
InChI Key JTBUXGFXQRKCMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
7.15
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29O5PS
MW 448.52
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.37

Data from ChEMBL 36 via Core Engine