Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: ONTIANIL
Compound Identifier: 705172
Mol Structure 2D: 705172
Molecular Weight: 282
Formula: C13 H12 Cl N O2 S
Development Status: Preclinical
SMILES: Clc1ccc(NC(=S)C2C(=O)CCCC2=O)cc1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222422D 0 0.00000 0.00000 0^^ 18 19 0 0 0 999 V2000^ 1.1750 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2375 0.3833 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.1292 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2375 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2792 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1750 -1.4667 0.0000 S 0 0 0 0 0 0 0 0 0^ 3.2792 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1750 2.2125 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9250 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0333 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1125 -2.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -0.9083 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9875 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9583 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0333 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2792 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 2 1 0 0 0^ 6 1 2 0 0 0^ 7 5 2 0 0 0^ 8 4 2 0 0 0^ 9 3 1 0 0 0^ 10 15 2 0 0 0^ 11 10 1 0 0 0^ 12 9 1 0 0 0^ 13 9 2 0 0 0^ 14 12 2 0 0 0^ 15 13 1 0 0 0^ 16 5 1 0 0 0^ 17 4 1 0 0 0^ 18 16 1 0 0 0^ 10 14 1 0 0 0^ 18 17 1 0 0 0^M END^^
Structure View
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