Viewing Compound With Structures

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Compound Report Overview

Compound Name: XANTHIOL
Compound Identifier: 705050
Mol Structure 2D: 705050
Molecular Weight: 417
Formula: C23 H29 Cl N2 O S
Development Status: Preclinical
SMILES: OCCCN1CCN(CCCC2c3ccccc3Sc4ccc(Cl)cc24)CC1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222372D 0 0.00000 0.00000 0^^ 28 31 0 0 0 999 V2000^ -2.0458 -2.1917 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.2583 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0458 -0.3417 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.8125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8125 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8792 1.9708 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.2917 1.0375 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.4583 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4583 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3000 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0750 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0625 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8792 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3000 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0625 -0.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -2.0458 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6542 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4292 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5833 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5833 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2708 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2417 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.4500 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 2 0 0 0^ 3 1 1 0 0 0^ 4 6 1 0 0 0^ 5 1 1 0 0 0^ 6 5 2 0 0 0^ 7 13 1 0 0 0^ 8 20 1 0 0 0^ 9 2 1 0 0 0^ 10 3 1 0 0 0^ 11 16 1 0 0 0^ 12 8 1 0 0 0^ 13 15 1 0 0 0^ 14 12 1 0 0 0^ 15 8 1 0 0 0^ 16 10 2 0 0 0^ 17 11 1 0 0 0^ 18 4 1 0 0 0^ 19 7 1 0 0 0^ 20 24 1 0 0 0^ 21 19 1 0 0 0^ 22 6 1 0 0 0^ 23 5 1 0 0 0^ 24 18 1 0 0 0^ 25 26 1 0 0 0^ 26 21 1 0 0 0^ 27 28 1 0 0 0^ 28 23 2 0 0 0^ 2 4 1 0 0 0^ 27 22 2 0 0 0^ 11 9 2 0 0 0^ 7 14 1 0 0 0^M END^^
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