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Compound Detail

CHEMBL1194035

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CCN(CC)CCOc1cc(O)c2c3c(oc2c1)C(=O)c1ccccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194035
Phase Preclinical
Structure Type MOL
InChI Key FJBLONNLEOUZHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.63
ALogP
6
HBA
1
HBD
80.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO5
MW 379.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine