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Compound Detail

CHEMBL4300390

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NCC#Cc1cnccc1-c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300390
Phase Preclinical
Structure Type MOL
InChI Key ZDBFFUPFHFIASN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
1.65
ALogP
3
HBA
1
HBD
52.0
PSA (Ų)
0.71
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 C12H10N2O
MW 198.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine