Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: ETONITAZENE
Compound Identifier: 704350
Mol Structure 2D: 704350
Molecular Weight: 396
Formula: C22 H28 N4 O3
Development Status: Preclinical
SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+](=O)[O-])cc1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222052D 0 0.00000 0.00000 0^^ 29 31 0 0 0 999 V2000^ 3.7125 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2167 -0.5375 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.2167 0.7958 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.4417 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2792 0.9583 0.0000 N 0 3 0 0 0 0 0 0 0^ 2.4417 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7250 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9917 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4792 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7250 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.5375 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4458 0.5333 0.0000 O 0 5 0 0 0 0 0 0 0^ 0.2792 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.9917 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9375 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9417 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1917 -2.7167 0.0000 N 0 0 3 0 0 0 0 0 0^ 5.7875 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.7875 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.5375 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1875 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9417 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2042 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.0042 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6542 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.0292 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9042 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.5542 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.4542 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 2 0 0 0^ 4 3 1 0 0 0^ 5 8 1 0 0 0^ 6 2 1 0 0 0^ 7 4 1 0 0 0^ 8 7 2 0 0 0^ 9 2 1 0 0 0^ 10 6 1 0 0 0^ 11 1 1 0 0 0^ 12 5 1 0 0 0^ 13 5 2 0 0 0^ 14 10 2 0 0 0^ 15 9 1 0 0 0^ 16 11 1 0 0 0^ 17 15 1 0 0 0^ 18 22 2 0 0 0^ 19 16 1 0 0 0^ 20 16 2 0 0 0^ 21 19 2 0 0 0^ 22 20 1 0 0 0^ 23 18 1 0 0 0^ 24 17 1 0 0 0^ 25 17 1 0 0 0^ 26 23 1 0 0 0^ 27 25 1 0 0 0^ 28 24 1 0 0 0^ 29 26 1 0 0 0^ 4 6 2 0 0 0^ 18 21 1 0 0 0^ 8 14 1 0 0 0^M CHG 2 5 1 12 -1^M END^^
Structure View
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