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Compound Detail

CHEMBL1182945

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Cc1ccccc1C(NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OCCOC(C)C)cc1)c1ccccc1C

Basic Information

ChEMBL ID CHEMBL1182945
Phase Preclinical
Structure Type MOL
InChI Key CMTKCIMTAINHTK-OMETZTOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

664.8
MW (Da)
6.58
ALogP
7
HBA
2
HBD
106.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H44N2O7
MW 664.80
Aromatic Rings 4
Heavy Atoms 49
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine