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Compound Detail

CHEMBL1184086

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CCCC(NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1184086
Phase Preclinical
Structure Type MOL
InChI Key NSROWKBSRVFCCQ-JIZVMTRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

530.6
MW (Da)
4.92
ALogP
6
HBA
2
HBD
97.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34N2O6
MW 530.62
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine