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Compound Detail

CHEMBL1789727

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C(#C[C@H]1CCCN1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789727
Phase Preclinical
Structure Type MOL
InChI Key YOOCTKCKTOXZCT-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
1.19
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2
MW 172.23
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine