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Ingredients

Zinc01532096

C13H11Cl2NO2

Entity Type
Ingredients
Relation Groups
2
Relation Preview
2

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Zinc01532096
Molecular Formula
C13H11Cl2NO2
Molecular Weight
No data
Canonical SMILES
CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C
Isomeric SMILES
C[C@]12C[C@]1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C
InChI
InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3/t12-,13+
Oral Bioavailability
50.740
Drug Likeness
0.742
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Active Targets

ingredient target1 Targets
01
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1