Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: 180243
Compound Identifier: 703496
Mol Structure 2D: 703496
Molecular Weight: 322
Formula: C12 H16 Cl N O5 S
Development Status: Clinical, Phase II/III
SMILES: CS(=O)(=O)OCCN(CCCl)c1ccc(cc1)C(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223182D 0 0.00000 0.00000 0^^ 20 20 0 0 0 999 V2000^ 3.3667 0.4083 0.0000 S 0 0 3 0 0 0 0 0 0^ -3.3625 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5167 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2000 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5208 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8375 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5167 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.0083 0.3833 0.0000 N 0 0 3 0 0 0 0 0 0^ -3.3625 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6833 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5208 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8375 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6833 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6667 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1917 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1958 -1.0750 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8375 2.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 0.8375 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0083 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8375 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 3 1 2 0 0 0^ 4 1 2 0 0 0^ 5 11 1 0 0 0^ 6 8 1 0 0 0^ 7 1 1 0 0 0^ 8 18 1 0 0 0^ 9 2 2 0 0 0^ 10 12 1 0 0 0^ 11 13 2 0 0 0^ 12 6 2 0 0 0^ 13 6 1 0 0 0^ 14 7 1 0 0 0^ 15 1 1 0 0 0^ 16 2 1 0 0 0^ 17 20 1 0 0 0^ 18 14 1 0 0 0^ 19 8 1 0 0 0^ 20 19 1 0 0 0^ 5 10 2 0 0 0^M END^^
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