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Compound Detail

CHEMBL1180361

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COCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)NC(c2ccccc2C)c2ccccc2C)cc1

Basic Information

ChEMBL ID CHEMBL1180361
Phase Preclinical
Structure Type MOL
InChI Key MAYFJXPGRYHMPF-WSQCMGDHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

636.8
MW (Da)
5.80
ALogP
7
HBA
2
HBD
106.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H40N2O7
MW 636.75
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine