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Compound Detail

CHEMBL3545646

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COc1ccc(CCc2cn(-c3ccccc3)c3ccc(CCC(=O)O)cc23)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545646
Phase Preclinical
Structure Type MOL
InChI Key ANALRIJIVMSBNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
5.45
ALogP
4
HBA
1
HBD
60.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27NO4
MW 429.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine