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Compound Detail

CHEMBL112595

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COc1ccc(C(O)CN2CCN(c3ccccc3OC)CC2)cc1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112595
Phase Preclinical
Structure Type MOL
InChI Key GSBXTILXOYHBKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
1.66
ALogP
6
HBA
2
HBD
88.3
PSA (Ų)
0.75
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 C21H27N3O4
MW 385.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine