Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: THYROMEDAN
Compound Identifier: 705065
Mol Structure 2D: 705065
Molecular Weight: 735
Formula: C21 H24 I3 N O4
Development Status: Preclinical
SMILES: CCN(CC)CCOC(=O)Cc1cc(I)c(Oc2ccc(OC)c(I)c2)c(I)c1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222382D 0 0.00000 0.00000 0^^ 29 30 0 0 0 999 V2000^ -0.6083 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6083 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3458 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1792 2.5833 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0708 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6292 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0708 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3458 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8958 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3667 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6208 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8958 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3542 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0542 0.9375 0.0000 I 0 0 0 0 0 0 0 0 0^ -1.3458 3.4625 0.0000 I 0 0 0 0 0 0 0 0 0^ 1.6292 -0.0250 0.0000 I 0 0 0 0 0 0 0 0 0^ 1.6167 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5000 -2.2667 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.1125 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9917 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1833 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4625 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8500 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2708 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7750 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8625 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9958 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 2 0 0 0^ 4 1 1 0 0 0^ 5 8 2 0 0 0^ 6 7 2 0 0 0^ 7 11 1 0 0 0^ 8 3 1 0 0 0^ 9 2 2 0 0 0^ 10 14 1 0 0 0^ 11 4 1 0 0 0^ 12 15 2 0 0 0^ 13 10 2 0 0 0^ 14 5 1 0 0 0^ 15 19 1 0 0 0^ 16 2 1 0 0 0^ 17 3 1 0 0 0^ 18 6 1 0 0 0^ 19 11 2 0 0 0^ 20 24 1 0 0 0^ 21 10 1 0 0 0^ 22 12 1 0 0 0^ 23 21 1 0 0 0^ 24 23 1 0 0 0^ 25 20 1 0 0 0^ 26 20 1 0 0 0^ 27 22 1 0 0 0^ 28 25 1 0 0 0^ 29 26 1 0 0 0^ 5 9 1 0 0 0^ 12 6 1 0 0 0^M END^^
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