Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: SAMIXOGREL
Compound Identifier: 703808
Mol Structure 2D: 703808
Molecular Weight: 485
Formula: C25 H25 Cl N2 O4 S
Development Status: Clinical, Phase I
SMILES: OC(=O)CCCC=C(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c3cccnc3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223222D 0 0.00000 0.00000 0^^ 33 35 0 0 0 999 V2000^ -2.2708 0.3083 0.0000 S 0 0 3 0 0 0 0 0 0^ 1.5375 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8208 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7083 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.8000 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.9667 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7375 0.6250 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5375 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0792 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0542 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6542 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8208 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9667 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4167 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8583 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1917 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.8583 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3458 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4167 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0958 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0833 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3833 1.5250 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -1.1958 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1292 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5292 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0792 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6500 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0125 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6042 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0125 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 6 1 0 0 0^ 3 1 1 0 0 0^ 4 1 2 0 0 0^ 5 1 2 0 0 0^ 6 16 2 0 0 0^ 7 1 1 0 0 0^ 8 27 1 0 0 0^ 9 2 1 0 0 0^ 10 2 2 0 0 0^ 11 26 2 0 0 0^ 12 8 2 0 0 0^ 13 3 2 0 0 0^ 14 3 1 0 0 0^ 15 21 2 0 0 0^ 16 22 1 0 0 0^ 17 19 1 0 0 0^ 18 8 1 0 0 0^ 19 14 2 0 0 0^ 20 13 1 0 0 0^ 21 23 1 0 0 0^ 22 23 2 0 0 0^ 23 30 1 0 0 0^ 24 17 1 0 0 0^ 25 7 1 0 0 0^ 26 9 1 0 0 0^ 27 32 1 0 0 0^ 28 33 2 0 0 0^ 29 10 1 0 0 0^ 30 25 1 0 0 0^ 31 9 2 0 0 0^ 32 29 1 0 0 0^ 33 31 1 0 0 0^ 17 20 2 0 0 0^ 15 6 1 0 0 0^ 28 11 1 0 0 0^M END^^
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