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Compound Detail

CHEMBL3828819

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CN(CC#Cc1ccccc1)Cc1ccc2c(c1)CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828819
Phase Preclinical
Structure Type MOL
InChI Key TTYDOCFQQICZHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
4.44
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.60
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 C22H25N
MW 303.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine