Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: ABITESARTAN
Compound Identifier: 705646
Mol Structure 2D: 705646
Molecular Weight: 462
Formula: C26 H31 N5 O3
Development Status: Preclinical
SMILES: CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nnn[nH]3)CC4(CCCC4)C(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222582D 0 0.00000 0.00000 0^^ 34 37 0 0 0 999 V2000^ 3.5167 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0625 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.7792 -0.4667 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.9750 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.0375 1.7833 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.2500 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.3083 0.5583 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.5542 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6000 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0625 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2208 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0000 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3458 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2292 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2375 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.2167 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0000 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4292 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5167 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3667 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4292 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2167 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7750 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0208 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8083 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9000 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9792 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4583 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5542 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3375 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 1 2 0 0 0^ 4 6 1 0 0 0^ 5 10 1 0 0 0^ 6 1 1 0 0 0^ 7 14 1 0 0 0^ 8 1 1 0 0 0^ 9 5 1 0 0 0^ 10 7 1 0 0 0^ 11 8 1 0 0 0^ 12 7 1 0 0 0^ 13 11 1 0 0 0^ 14 19 1 0 0 0^ 15 9 2 0 0 0^ 16 12 2 0 0 0^ 17 13 2 0 0 0^ 18 13 1 0 0 0^ 19 24 1 0 0 0^ 20 9 1 0 0 0^ 21 5 1 0 0 0^ 22 5 1 0 0 0^ 23 17 1 0 0 0^ 24 18 2 0 0 0^ 25 8 2 0 0 0^ 26 11 2 0 0 0^ 27 12 1 0 0 0^ 28 27 1 0 0 0^ 29 21 1 0 0 0^ 30 22 1 0 0 0^ 31 28 1 0 0 0^ 32 33 2 0 0 0^ 33 25 1 0 0 0^ 34 31 1 0 0 0^ 2 4 2 0 0 0^ 32 26 1 0 0 0^ 23 19 2 0 0 0^ 30 29 1 0 0 0^M END^^
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