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Compound Detail

CHEMBL287962

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CCCCOc1ccc([C@@H]2CC[C@@H](NC)c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287962
Phase Preclinical
Structure Type MOL
InChI Key VQKDILDGJJMEMG-GHTZIAJQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
5.05
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.75
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO
MW 309.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.28

Data from ChEMBL 36 via Core Engine