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Compound Detail

CHEMBL1206055

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O=C(O)COc1cccc2c1CCC[C@@H]2OCc1nc(-c2ccccc2)c(-c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206055
Phase Preclinical
Structure Type MOL
InChI Key QKJKLOFSAZMAQR-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
6.07
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25NO5
MW 455.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine