Viewing Compound With Structures

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Compound Report Overview

Compound Name: DU-125530
Compound Identifier: 704156
Mol Structure 2D: 704156
Molecular Weight: 492
Formula: C23 H26 Cl N3 O5 S
Development Status: Clinical, Phase II/III
SMILES: Clc1cc(N2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c5OCCOc5c1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223272D 0 0.00000 0.00000 0^^ 33 37 0 0 0 999 V2000^ 2.6167 0.0875 0.0000 S 0 0 3 0 0 0 0 0 0^ 2.2542 0.6458 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.6167 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2750 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2750 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5208 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5208 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9708 -0.0417 0.0000 N 0 0 3 0 0 0 0 0 0^ -3.0625 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9500 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9667 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0625 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6250 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8125 0.6500 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.3792 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9458 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.6250 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0708 -1.9750 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3958 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9708 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4542 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8208 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3958 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8542 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1875 -0.0167 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 3.8542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2333 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9458 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5083 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9042 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3292 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4167 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4167 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 4 5 1 0 0 0^ 5 1 1 0 0 0^ 6 8 1 0 0 0^ 7 6 2 0 0 0^ 8 20 1 0 0 0^ 9 7 1 0 0 0^ 10 1 2 0 0 0^ 11 1 2 0 0 0^ 12 6 1 0 0 0^ 13 17 1 0 0 0^ 14 27 1 0 0 0^ 15 3 2 0 0 0^ 16 7 1 0 0 0^ 17 12 2 0 0 0^ 18 9 1 0 0 0^ 19 22 1 0 0 0^ 20 23 1 0 0 0^ 21 2 1 0 0 0^ 22 14 1 0 0 0^ 23 14 1 0 0 0^ 24 4 2 0 0 0^ 25 17 1 0 0 0^ 26 5 2 0 0 0^ 27 31 1 0 0 0^ 28 16 1 0 0 0^ 29 28 1 0 0 0^ 30 21 1 0 0 0^ 31 30 1 0 0 0^ 32 33 2 0 0 0^ 33 26 1 0 0 0^ 4 3 1 0 0 0^ 32 24 1 0 0 0^ 19 8 1 0 0 0^ 13 9 2 0 0 0^ 29 18 1 0 0 0^M END^^
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