Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: SIBRAFIBAN
Compound Identifier: 706251
Mol Structure 2D: 706251
Molecular Weight: 420
Formula: C20 H28 N4 O6
Development Status: Clinical, Phase II/III
SMILES: CCOC(=O)COC1CCN(CC1)C(=O)C(C)NC(=O)c2ccc(cc2)C(=NO)N
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223252D 0 0.00000 0.00000 0^^ 30 31 0 1 0 999 V2000^ -1.1333 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3583 1.8333 0.0000 N 0 0 3 0 0 0 0 0 0^ -3.4583 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6750 2.2750 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.9083 1.8333 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.4583 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4458 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6833 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.4458 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5042 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3625 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4167 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1333 3.1750 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2333 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2792 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.6708 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2208 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2208 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6708 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1875 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4042 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2333 -2.2125 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.9542 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1875 0.9333 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.7292 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6833 -3.1125 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5042 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9083 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2792 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2750 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 4 1 0 0 0^ 4 5 1 0 0 0^ 5 1 1 0 0 0^ 6 9 1 0 0 0^ 7 3 1 0 0 0^ 8 6 2 0 0 0^ 9 18 1 0 0 0^ 10 25 1 0 0 0^ 11 2 1 0 0 0^ 12 2 1 0 0 0^ 13 1 2 0 0 0^ 14 3 2 0 0 0^ 15 10 2 0 0 0^ 16 7 2 0 0 0^ 17 7 1 0 0 0^ 18 17 2 0 0 0^ 19 16 1 0 0 0^ 20 12 1 0 0 0^ 21 11 1 0 0 0^ 22 6 1 0 0 0^ 23 24 1 0 0 0^ 24 20 1 0 0 0^ 25 23 1 0 0 0^ 26 8 1 0 0 0^ 27 10 1 0 0 0^ 5 28 1 6 0 0^ 29 27 1 0 0 0^ 30 29 1 0 0 0^ 24 21 1 0 0 0^ 9 19 2 0 0 0^M END^^
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