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Compound Detail

CHEMBL4301019

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COc1ccncc1-c1ccc(CN)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301019
Phase Preclinical
Structure Type MOL
InChI Key KERMTVWJVXZGRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.81
ALogP
4
HBA
1
HBD
61.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2O2
MW 204.23
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine