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Compound Detail

CHEMBL118498

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COc1cncc(C#Cc2ccccn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118498
Phase Preclinical
Structure Type MOL
InChI Key VRTFKUFTEWQHDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
1.89
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N2O
MW 210.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine