Viewing Compound With Structures

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Compound Report Overview

Compound Name: GR-95168
Compound Identifier: 706017
Mol Structure 2D: 706017
Molecular Weight: 331
Formula: C12 H15 Br N2 O4
Development Status: Clinical, Phase I
SMILES: OCC1CC(CC1O)n2cc(C=CBr)c(=O)[nH]c2=O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223152D 0 0.00000 0.00000 0^^ 19 20 0 1 0 999 V2000^ -0.6333 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 0.0833 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.6333 1.7250 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.2042 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2042 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2792 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 -1.8000 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.0583 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5000 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3208 -1.8000 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.0000 -2.7000 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.1042 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5458 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.2792 3.2833 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0167 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9167 2.2708 0.0000 Br 0 0 0 0 0 0 0 0 0^ -1.5375 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2333 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0958 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 6 1 0 0 0^ 5 2 1 0 0 0^ 6 3 1 0 0 0^ 7 2 1 1 0 0^ 8 7 1 0 0 0^ 9 7 1 0 0 0^ 10 9 1 0 0 0^ 11 8 1 0 0 0^ 12 4 1 0 0 0^ 13 1 2 0 0 0^ 14 6 2 0 0 0^ 15 12 2 0 0 0^ 16 15 1 0 0 0^ 11 17 1 6 0 0^ 10 18 1 1 0 0^ 19 18 1 0 0 0^ 4 5 2 0 0 0^ 11 10 1 0 0 0^M END^^
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