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Compound Detail

CHEMBL1183429

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COc1cccc2c1CC(NCCCCN1C(=O)c3ccccc3C1=O)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183429
Phase Preclinical
Structure Type MOL
InChI Key FVFQQWRAUZNCPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
2.66
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O4
MW 380.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine