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Compound Detail

CHEMBL1206922

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CCCOc1c(OCCCOP(=O)(O)O)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O

Basic Information

ChEMBL ID CHEMBL1206922
Phase Preclinical
Structure Type MOL
InChI Key KLGGTJSXVJUBGE-VXKWHMMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

646.6
MW (Da)
4.33
ALogP
11
HBA
2
HBD
173.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39O13PS
MW 646.65
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine