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Compound Detail

CHEMBL1196678

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COc1ccccc1C/N=C(\N)c1cc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196678
Phase Preclinical
Structure Type MOL
InChI Key VGQYKOPNKCOKJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.08
ALogP
2
HBA
2
HBD
63.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O
MW 279.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine