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Compound Detail

CHEMBL1180363

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

Basic Information

ChEMBL ID CHEMBL1180363
Phase Preclinical
Structure Type MOL
InChI Key GCISLFODTRCVKS-FLIPHLSNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

564.6
MW (Da)
5.17
ALogP
6
HBA
2
HBD
97.3
PSA (Ų)
0.29
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 C34H32N2O6
MW 564.64
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine