Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: IFETROBAN
Compound Identifier: 706069
Mol Structure 2D: 706069
Molecular Weight: 441
Formula: C25 H32 N2 O5
Development Status: Clinical, Phase I
SMILES: CCCCCNC(=O)c1coc(n1)C2C(Cc3ccccc3CCC(=O)O)C4CCC2O4
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223172D 0 0.00000 0.00000 0^^ 32 35 0 1 0 999 V2000^ -2.1458 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4333 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.8708 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.7625 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8708 -0.3667 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.6208 -1.6667 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.9333 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.8833 -2.4625 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.6208 0.0708 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.0500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1250 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0333 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1250 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8042 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4000 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0333 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8042 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.6917 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.6458 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0792 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5417 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8708 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4000 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4125 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1292 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6125 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8792 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8708 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1375 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 1 1 6 0 0^ 4 2 1 0 0 0^ 5 3 1 0 0 0^ 6 3 1 0 0 0^ 6 7 1 6 0 0^ 8 1 1 0 0 0^ 9 5 1 0 0 0^ 10 8 1 0 0 0^ 5 11 1 6 0 0^ 12 4 1 0 0 0^ 13 11 1 0 0 0^ 14 22 1 0 0 0^ 15 6 1 0 0 0^ 16 15 1 0 0 0^ 17 13 1 0 0 0^ 18 12 2 0 0 0^ 19 14 2 0 0 0^ 20 12 1 0 0 0^ 21 17 1 0 0 0^ 22 21 1 0 0 0^ 23 14 1 0 0 0^ 24 13 2 0 0 0^ 25 17 2 0 0 0^ 26 20 1 0 0 0^ 27 26 1 0 0 0^ 28 29 1 0 0 0^ 29 27 1 0 0 0^ 30 24 1 0 0 0^ 31 28 1 0 0 0^ 32 30 2 0 0 0^ 10 4 2 0 0 0^ 9 7 1 6 0 0^ 16 9 1 0 0 0^ 32 25 1 0 0 0^M END^^
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