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Compound Detail

CHEMBL4117021

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CCN(CC)c1ccc(/C=C/c2cc(N3CCN(CCO)CC3)c3ccccc3[n+]2C)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117021
Phase Preclinical
Structure Type MOL
InChI Key PCAHJEUPKRWADJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
3.50
ALogP
5
HBA
2
HBD
54.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N4O2+
MW 461.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine