Viewing Compound With Structures

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Compound Report Overview

Compound Name: THIOKYNURENIC ACID
Compound Identifier: 701047
Mol Structure 2D: 701047
Molecular Weight: 205
Formula: C10 H7 N O2 S
Development Status: Laboratory Testing
SMILES: OC(=O)c1cc(S)c2ccccc2n1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222262D 0 0.00000 0.00000 0^^ 14 15 0 0 0 999 V2000^ 5.5750 -3.6917 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.2875 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.5750 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2875 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8625 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8625 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.0000 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.0000 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.5750 -1.2167 0.0000 S 0 0 0 0 0 0 0 0 0^ 7.7125 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.1500 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1500 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4292 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 6 1 0 0 0^ 4 2 1 0 0 0^ 5 1 1 0 0 0^ 6 5 2 0 0 0^ 7 2 1 0 0 0^ 8 7 2 0 0 0^ 9 3 1 0 0 0^ 10 7 1 0 0 0^ 11 6 1 0 0 0^ 12 5 1 0 0 0^ 13 14 1 0 0 0^ 14 12 2 0 0 0^ 4 3 2 0 0 0^ 13 11 2 0 0 0^M END^^
Structure View
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