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Compound Report Overview

Compound Name: TAK-661

Compound Identifier: 704087

Mol Structure 2D: 704087

Molecular Weight: 327

Formula: C13 H21 N5 O3 S

Development Status: Clinical, Phase II/III

SMILES: CC(C)c1cc2ncnn2nc1OCC(C)(C)CS(=O)(=O)N

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100223262D 0 0.00000 0.00000 0^^ 22 23 0 0 0 999 V2000^ 2.1292 -0.0792 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.4542 -0.4625 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.7917 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5625 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0^ 0.7917 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4542 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8792 -0.3125 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.8792 0.9250 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.3125 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1167 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2875 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5708 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.8875 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2125 -0.4667 0.0000 C 0 0 3 0 0 0 0 0 0^ -3.2250 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.1292 1.0750 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.5458 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8833 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5708 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1292 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5333 0.6958 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 1 0 0 0^ 5 14 1 0 0 0^ 6 7 2 0 0 0^ 7 4 1 0 0 0^ 8 1 1 0 0 0^ 9 4 2 0 0 0^ 10 8 2 0 0 0^ 11 3 1 0 0 0^ 12 5 2 0 0 0^ 13 5 2 0 0 0^ 14 15 1 0 0 0^ 15 18 1 0 0 0^ 16 5 1 0 0 0^ 17 6 1 0 0 0^ 18 11 1 0 0 0^ 19 15 1 0 0 0^ 20 15 1 0 0 0^ 21 17 1 0 0 0^ 22 17 1 0 0 0^ 10 9 1 0 0 0^ 6 3 1 0 0 0^M END^^

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