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Compound Detail

CHEMBL2221221

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NCCCNCCCNCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221221
Phase Preclinical
Structure Type MOL
InChI Key XBBWOYAFRQEDPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
2.43
ALogP
7
HBA
4
HBD
105.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N4O3
MW 450.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.26

Data from ChEMBL 36 via Core Engine