Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: SEDOXANTRONE
Compound Identifier: 702602
Mol Structure 2D: 702602
Molecular Weight: 398
Formula: C21 H27 N5 O S
Development Status: Preclinical
SMILES: CCN(CC)CCn1nc2c3c1ccc(NCCN)c3sc4cc(O)ccc24
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222582D 0 0.00000 0.00000 0^^ 28 31 0 0 0 999 V2000^ 4.7125 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0042 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2292 -1.6417 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.7042 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.1750 -1.6167 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.9917 -4.0792 0.0000 S 0 0 0 0 0 0 0 0 0^ 3.2917 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4125 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5875 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4042 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1167 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5875 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1167 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8917 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.4667 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4000 -4.9000 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.9417 -0.3875 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.8917 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.5917 -5.1042 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.1792 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.6250 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0875 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7625 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8125 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.0917 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 2 0 0 0^ 4 1 2 0 0 0^ 5 9 1 0 0 0^ 6 4 1 0 0 0^ 7 2 1 0 0 0^ 8 6 1 0 0 0^ 9 1 1 0 0 0^ 10 5 1 0 0 0^ 11 8 2 0 0 0^ 12 4 1 0 0 0^ 13 9 2 0 0 0^ 14 7 2 0 0 0^ 15 13 1 0 0 0^ 16 11 1 0 0 0^ 17 10 1 0 0 0^ 18 12 1 0 0 0^ 19 17 1 0 0 0^ 20 14 1 0 0 0^ 21 26 1 0 0 0^ 22 16 1 0 0 0^ 23 19 1 0 0 0^ 24 19 1 0 0 0^ 25 18 1 0 0 0^ 26 25 1 0 0 0^ 27 23 1 0 0 0^ 28 24 1 0 0 0^ 5 3 1 0 0 0^ 15 12 2 0 0 0^ 8 7 1 0 0 0^ 16 20 2 0 0 0^M END^^
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