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Compound Detail

CHEMBL3819741

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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CNC(=O)C2CC2)OC(C(=O)O)=C[C@@H]1NC(=N)N

Basic Information

ChEMBL ID CHEMBL3819741
Phase Preclinical
Structure Type MOL
InChI Key WAJNLNKJNMQSDW-IINAIABHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
-3.04
ALogP
7
HBA
8
HBD
207.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N5O7
MW 399.40
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.52

Data from ChEMBL 36 via Core Engine