Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: TIBENELAST
Compound Identifier: 705791
Mol Structure 2D: 705791
Molecular Weight: 266
Formula: C13 H14 O4 S
Development Status: Clinical, Phase II/III
SMILES: CCOc1cc2cc(sc2cc1OCC)C(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223072D 0 0.00000 0.00000 0^^ 18 19 0 0 0 999 V2000^ 2.4375 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7250 -0.8667 0.0000 S 0 0 0 0 0 0 0 0 0^ 0.6417 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7542 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6417 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5792 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3458 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3458 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3458 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3458 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2167 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.1000 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.3583 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.3583 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3375 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3500 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 4 1 2 0 0 0^ 5 4 1 0 0 0^ 6 1 1 0 0 0^ 7 3 1 0 0 0^ 8 7 2 0 0 0^ 9 5 1 0 0 0^ 10 9 2 0 0 0^ 11 6 2 0 0 0^ 12 6 1 0 0 0^ 13 8 1 0 0 0^ 14 10 1 0 0 0^ 15 14 1 0 0 0^ 16 13 1 0 0 0^ 17 15 1 0 0 0^ 18 16 1 0 0 0^ 3 5 2 0 0 0^ 8 10 1 0 0 0^M END^^
Structure View
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