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Compound Detail

CHEMBL3559271

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CCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3C)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559271
Phase Preclinical
Structure Type MOL
InChI Key KISPTSIXDBWEIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
5.96
ALogP
1
HBA
0
HBD
8.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N2+
MW 363.48
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine