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Compound Detail

CHEMBL1178309

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CN1CCCC1CNC[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1

Basic Information

ChEMBL ID CHEMBL1178309
Phase Preclinical
Structure Type MOL
InChI Key SZPGUEKZKKMDDE-NOTNPOBESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
-3.34
ALogP
12
HBA
6
HBD
184.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H35N5O8
MW 485.54
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 1.21

Data from ChEMBL 36 via Core Engine