Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: CETIEDIL
Compound Identifier: 705053
Mol Structure 2D: 705053
Molecular Weight: 350
Formula: C20 H31 N O2 S
Development Status: Preclinical
SMILES: O=C(OCCN1CCCCCC1)C(C2CCCCC2)c3ccsc3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222372D 0 0.00000 0.00000 0^^ 24 26 0 0 0 999 V2000^ 0.8292 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7167 -0.1250 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.7208 0.8375 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.7625 -1.1917 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.1083 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8167 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1500 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6375 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5917 0.4125 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.8542 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8833 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0000 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7625 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5833 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4792 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5833 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6833 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4542 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3167 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8208 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 1 1 0 0 0^ 4 6 1 0 0 0^ 5 12 1 0 0 0^ 6 1 2 0 0 0^ 7 1 1 0 0 0^ 8 7 2 0 0 0^ 9 2 2 0 0 0^ 10 3 1 0 0 0^ 11 2 1 0 0 0^ 12 13 1 0 0 0^ 13 11 1 0 0 0^ 14 5 1 0 0 0^ 15 5 1 0 0 0^ 16 10 1 0 0 0^ 17 10 1 0 0 0^ 18 14 1 0 0 0^ 19 15 1 0 0 0^ 20 16 1 0 0 0^ 21 17 1 0 0 0^ 22 21 1 0 0 0^ 23 18 1 0 0 0^ 24 19 1 0 0 0^ 4 8 1 0 0 0^ 22 20 1 0 0 0^ 24 23 1 0 0 0^M END^^
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