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Compound Detail

CHEMBL3828822

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CN(C/C=C/c1ccccc1)Cc1ccc2c(c1)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828822
Phase Preclinical
Structure Type MOL
InChI Key AAVTYZWHGZWZCB-RMKNXTFCSA-N
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
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N
MW 277.41
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine