Viewing Compound With Structures

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Compound Report Overview

Compound Name: CETOTIAMINE
Compound Identifier: 701211
Mol Structure 2D: 701211
Molecular Weight: 426
Formula: C18 H26 N4 O6 S
Development Status: Launched outside US, not listed by FDA
SMILES: CCOC(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SC(=O)OCC
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222292D 0 0.00000 0.00000 0^^ 29 29 0 0 0 999 V2000^ -3.1708 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.9875 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3833 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7000 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6833 -0.2125 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.0417 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7000 0.6833 0.0000 S 0 0 0 0 0 0 0 0 0^ 1.4250 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1625 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5292 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1708 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.5625 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6833 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3708 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1625 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5417 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1875 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3417 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9875 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.9375 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8000 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1542 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3417 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0500 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0000 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7292 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7000 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -1.4292 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 2 0 0 0^ 5 9 1 0 0 0^ 6 5 1 0 0 0^ 7 4 1 0 0 0^ 8 7 1 0 0 0^ 9 2 1 0 0 0^ 10 20 1 0 0 0^ 11 12 2 0 0 0^ 12 1 1 0 0 0^ 13 5 1 0 0 0^ 14 11 1 0 0 0^ 15 8 2 0 0 0^ 16 10 2 0 0 0^ 17 13 2 0 0 0^ 18 4 1 0 0 0^ 19 3 1 0 0 0^ 20 23 1 0 0 0^ 21 8 1 0 0 0^ 22 10 1 0 0 0^ 23 18 1 0 0 0^ 24 6 1 0 0 0^ 25 12 1 0 0 0^ 26 21 1 0 0 0^ 27 22 1 0 0 0^ 28 26 1 0 0 0^ 29 27 1 0 0 0^ 14 2 2 0 0 0^M END^^
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