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Compound Detail

CHEMBL1196304

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COCCN(C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OCC12)OCO3

Basic Information

ChEMBL ID CHEMBL1196304
Phase Preclinical
Structure Type MOL
InChI Key HGCZFPHUJJBGOQ-WOHBCZSASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.6
MW (Da)
3.12
ALogP
9
HBA
1
HBD
95.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33NO8
MW 499.56
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.77

Data from ChEMBL 36 via Core Engine