Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: BEFLOXATONE
Compound Identifier: 703559
Mol Structure 2D: 703559
Molecular Weight: 349
Formula: C15 H18 F3 N O5
Development Status: Clinical, Phase II/III
SMILES: COCC1CN(C(=O)O1)c2ccc(OCCC(O)C(F)(F)F)cc2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223182D 0 0.00000 0.00000 0^^ 24 25 0 1 0 999 V2000^ -1.7625 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5333 -0.6167 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.4708 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.4500 0.8333 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.9125 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0958 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6875 -0.6167 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.3625 -1.9000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8167 0.4708 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.4500 1.5583 0.0000 F 0 0 0 0 0 0 0 0 0^ 4.0667 0.4708 0.0000 F 0 0 0 0 0 0 0 0 0^ 4.0667 1.2500 0.0000 F 0 0 0 0 0 0 0 0 0^ -0.9125 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2958 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1917 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3292 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2958 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5792 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8167 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.9542 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3208 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9375 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.5708 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 9 1 0 0 0^ 5 2 1 0 0 0^ 6 2 1 0 0 0^ 7 3 1 0 0 0^ 8 1 2 0 0 0^ 9 16 1 0 0 0^ 10 4 1 0 0 0^ 11 4 1 0 0 0^ 12 4 1 0 0 0^ 13 5 1 0 0 0^ 14 5 2 0 0 0^ 15 17 2 0 0 0^ 16 19 1 0 0 0^ 17 14 1 0 0 0^ 18 13 2 0 0 0^ 19 21 1 0 0 0^ 9 20 1 6 0 0^ 21 15 1 0 0 0^ 7 22 1 1 0 0^ 23 22 1 0 0 0^ 24 23 1 0 0 0^ 7 6 1 0 0 0^ 15 18 1 0 0 0^M END^^
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