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Compound Detail

CHEMBL1621249

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C[N+]1=C(/C=C/Nc2ccccc2)C(C)(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1621249
Phase Preclinical
Structure Type MOL
InChI Key CUWPYPZFLVWSCO-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
4.32
ALogP
1
HBA
1
HBD
15.0
PSA (Ų)
0.83
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 C19H21N2+
MW 277.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine