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Compound Detail

CHEMBL284741

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CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)C3C[C@@H]12

Basic Information

ChEMBL ID CHEMBL284741
Phase Preclinical
Structure Type MOL
InChI Key HKVWCHCBKOJRHE-MXAWKICOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
-0.21
ALogP
9
HBA
6
HBD
181.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O8
MW 444.44
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.52

Data from ChEMBL 36 via Core Engine