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Compound Detail

CHEMBL3559083

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C#CC(C)N(C)CC(=C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559083
Phase Preclinical
Structure Type MOL
InChI Key VHFMVSDOKRRJOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

199.3
MW (Da)
2.65
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N
MW 199.30
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine