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Compound Detail

CHEMBL1185774

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COc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)NC(c2ccccc2)c2ccccc2C)cc1

Basic Information

ChEMBL ID CHEMBL1185774
Phase Preclinical
Structure Type MOL
InChI Key WYLRXEBBERTKHN-FQUYOTINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

578.7
MW (Da)
5.48
ALogP
6
HBA
2
HBD
97.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H34N2O6
MW 578.67
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine