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Compound Detail

CHEMBL5222253

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Cc1ccccc1[N+]1=Cc2c(c3ccccc3n2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222253
Phase Preclinical
Structure Type MOL
InChI Key KMPONQZUCNIBMF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
3.81
ALogP
1
HBA
0
HBD
7.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N2+
MW 275.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.25

Data from ChEMBL 36 via Core Engine