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Compound Detail

CHEMBL2028034

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COc1ccc2cc3[n+](cc2c1OCCCNC(=O)c1cc2ccccc2[nH]1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2028034
Phase Preclinical
Structure Type MOL
InChI Key HOXNYQNSOJGJFW-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
4.77
ALogP
5
HBA
2
HBD
85.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28N3O5+
MW 522.58
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness 0.38

Data from ChEMBL 36 via Core Engine