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Compound Detail

CHEMBL1187814

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CCCN[C@@H]1C[C@@H]2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4

Basic Information

ChEMBL ID CHEMBL1187814
Phase Preclinical
Structure Type MOL
InChI Key KLOYXGIFOGMZNV-FRCJOOGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
-0.19
ALogP
7
HBA
5
HBD
120.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O6
MW 350.37
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.68

Data from ChEMBL 36 via Core Engine