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Compound Detail

CHEMBL1183082

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CCCCCCCCCCCCCCNC[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 CHEMBL1183082
Phase Preclinical
Structure Type MOL
InChI Key NZSSUHPFQJXYCA-WBSGOERWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

584.8
MW (Da)
1.27
ALogP
11
HBA
6
HBD
181.3
PSA (Ų)
0.12
QED
3
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H52N4O8
MW 584.76
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 1.05

Data from ChEMBL 36 via Core Engine