Viewing Compound With Structures

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Compound Report Overview

Compound Name: EDELFOSINE
Compound Identifier: 705351
Mol Structure 2D: 705351
Molecular Weight: 524
Formula: C27 H58 N O6 P
Development Status: Preclinical
SMILES: CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222472D 0 0.00000 0.00000 0^^ 35 34 0 0 0 999 V2000^ 0.0167 -2.8167 0.0000 P 0 0 3 0 0 0 0 0 0^ 0.0167 -3.2000 0.0000 O 0 5 0 0 0 0 0 0 0^ -0.3750 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.0167 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1875 -2.1417 0.0000 N 0 3 3 0 0 0 0 0 0^ 0.4167 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5583 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6042 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9458 -3.1500 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.9875 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1458 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8417 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5167 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3667 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9625 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1458 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1625 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5208 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9833 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0625 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1833 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0000 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1833 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0000 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2083 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0000 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2083 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0208 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2458 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0208 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2458 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0000 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1625 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0500 3.5958 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 1 2 0 0 0^ 5 10 1 0 0 0^ 6 1 1 0 0 0^ 7 3 1 0 0 0^ 8 6 1 0 0 0^ 9 7 1 0 0 0^ 10 8 1 0 0 0^ 11 9 1 0 0 0^ 12 5 1 0 0 0^ 13 5 1 0 0 0^ 14 5 1 0 0 0^ 15 16 1 0 0 0^ 16 9 1 0 0 0^ 17 15 1 0 0 0^ 18 11 1 0 0 0^ 19 17 1 0 0 0^ 20 21 1 0 0 0^ 21 32 1 0 0 0^ 22 33 1 0 0 0^ 23 22 1 0 0 0^ 24 23 1 0 0 0^ 25 24 1 0 0 0^ 26 25 1 0 0 0^ 27 26 1 0 0 0^ 28 27 1 0 0 0^ 29 28 1 0 0 0^ 30 29 1 0 0 0^ 31 30 1 0 0 0^ 32 31 1 0 0 0^ 33 34 1 0 0 0^ 34 19 1 0 0 0^ 35 20 1 0 0 0^M CHG 2 2 -1 5 1^M END^^
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