Viewing Compound With Structures

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Compound Report Overview

Compound Name: TIOXAPROFEN
Compound Identifier: 705204
Mol Structure 2D: 705204
Molecular Weight: 394
Formula: C18 H13 Cl2 N O3 S
Development Status: Preclinical
SMILES: CC(Sc1nc(c(o1)c2ccc(Cl)cc2)c3ccc(Cl)cc3)C(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222422D 0 0.00000 0.00000 0^^ 25 27 0 0 0 999 V2000^ -0.3833 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2375 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0583 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4125 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.9000 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2292 -1.0792 0.0000 S 0 0 0 0 0 0 0 0 0^ 3.4542 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3250 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6208 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4792 -2.0750 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.2292 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1000 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4958 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1958 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6333 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6042 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7833 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2000 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7708 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1958 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0458 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4208 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1583 -2.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -2.3500 3.3833 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 1.7542 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 4 2 0 0 0^ 3 1 2 0 0 0^ 4 1 1 0 0 0^ 5 3 1 0 0 0^ 6 2 1 0 0 0^ 7 10 1 0 0 0^ 8 1 1 0 0 0^ 9 3 1 0 0 0^ 10 6 1 0 0 0^ 11 7 2 0 0 0^ 12 8 2 0 0 0^ 13 8 1 0 0 0^ 14 9 2 0 0 0^ 15 9 1 0 0 0^ 16 7 1 0 0 0^ 17 20 1 0 0 0^ 18 22 1 0 0 0^ 19 14 1 0 0 0^ 20 15 2 0 0 0^ 21 12 1 0 0 0^ 22 13 2 0 0 0^ 23 18 1 0 0 0^ 24 17 1 0 0 0^ 25 10 1 0 0 0^ 2 5 1 0 0 0^ 18 21 2 0 0 0^ 17 19 2 0 0 0^M END^^
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