Viewing Compound With Structures

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Compound Report Overview

Compound Name: TOLRESTAT
Compound Identifier: 705862
Mol Structure 2D: 705862
Molecular Weight: 357
Formula: C16 H14 F3 N O3 S
Development Status: Launched outside US, not listed by FDA
SMILES: COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223102D 0 0.00000 0.00000 0^^ 24 25 0 0 0 999 V2000^ -1.5625 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9208 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8458 0.1500 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.3917 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0375 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9417 -0.9750 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.0042 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9208 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9417 -3.1917 0.0000 S 0 0 0 0 0 0 0 0 0^ 2.9417 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2792 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3750 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.1000 0.1500 0.0000 F 0 0 0 0 0 0 0 0 0^ -2.8458 -1.1167 0.0000 F 0 0 0 0 0 0 0 0 0^ -2.8458 1.4458 0.0000 F 0 0 0 0 0 0 0 0 0^ -1.5625 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2000 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3917 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5333 2.4208 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2167 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9000 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9208 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 6 1 0 0 0^ 3 1 2 0 0 0^ 4 1 1 0 0 0^ 5 3 1 0 0 0^ 6 5 1 0 0 0^ 7 2 1 0 0 0^ 8 13 1 0 0 0^ 9 1 1 0 0 0^ 10 2 2 0 0 0^ 11 12 1 0 0 0^ 12 7 1 0 0 0^ 13 9 2 0 0 0^ 14 11 2 0 0 0^ 15 4 1 0 0 0^ 16 4 1 0 0 0^ 17 4 1 0 0 0^ 18 3 1 0 0 0^ 19 11 1 0 0 0^ 20 23 1 0 0 0^ 21 9 1 0 0 0^ 22 7 1 0 0 0^ 23 18 2 0 0 0^ 24 21 1 0 0 0^ 8 5 2 0 0 0^ 20 6 2 0 0 0^M END^^
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