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Compound Detail

CHEMBL1622028

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CN(/C=C/C1=[N+](C)c2ccccc2C1(C)C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622028
Phase Preclinical
Structure Type MOL
InChI Key LPXYGVAQIOTYKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
4.34
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N2+
MW 291.42
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.09

Data from ChEMBL 36 via Core Engine