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Compound Detail

CHEMBL4650609

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Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCN1CCc2nc[nH]c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650609
Phase Preclinical
Structure Type MOL
InChI Key UBEDUBRLBNYBAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
4.56
ALogP
3
HBA
1
HBD
39.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36N5+
MW 442.63
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine