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Compound Detail

CHEMBL36403

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COc1cc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36403
Phase Preclinical
Structure Type MOL
InChI Key UUSGIZZJRRKUKZ-ZWKOTPCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.99
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO3
MW 339.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine