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Compound Detail

CHEMBL4301816

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CCCc1ccncc1C#CCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301816
Phase Preclinical
Structure Type MOL
InChI Key DDRQCENSVONZRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
1.34
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2
MW 174.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine