Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: 174630
Compound Identifier: 703434
Mol Structure 2D: 703434
Molecular Weight: 275
Formula: C12 H12 Cl F O4
Development Status: Clinical, Phase I
SMILES: CC1CC(O)(CC(=O)O)c2cc(F)c(Cl)cc2O1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223172D 0 0.00000 0.00000 0^^ 18 19 0 1 0 999 V2000^ 0.6417 1.0958 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.5208 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5208 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8375 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6417 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7083 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7083 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8375 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0042 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8375 -0.9792 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.0042 -0.2792 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5125 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.0833 1.0750 0.0000 F 0 0 0 0 0 0 0 0 0^ -4.0833 -1.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 4.1917 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9917 -1.6792 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 12 1 0 0 0^ 6 2 1 0 0 0^ 7 3 1 0 0 0^ 8 1 1 0 0 0^ 9 6 2 0 0 0^ 10 9 1 0 0 0^ 11 4 1 0 0 0^ 12 8 1 0 0 0^ 13 11 2 0 0 0^ 1 14 1 1 0 0^ 15 9 1 0 0 0^ 16 10 1 0 0 0^ 17 11 1 0 0 0^ 12 18 1 1 0 0^ 5 3 1 0 0 0^ 10 7 2 0 0 0^M END^^
Structure View
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