Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: PIRPROFEN
Compound Identifier: 702813
Mol Structure 2D: 702813
Molecular Weight: 252
Formula: C13 H14 Cl N O2
Development Status: Withdrawn by Manufacturer
SMILES: CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223052D 0 0.00000 0.00000 0^^ 17 18 0 0 0 999 V2000^ -1.2500 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4625 -0.6167 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.6375 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1792 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0000 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5792 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3792 -0.6167 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.6375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5792 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3792 1.4708 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3458 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2958 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2708 1.4833 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 4.2125 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2208 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1375 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0000 -1.6667 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 2 0 0 0^ 5 7 1 0 0 0^ 6 3 2 0 0 0^ 7 4 1 0 0 0^ 8 1 2 0 0 0^ 9 8 1 0 0 0^ 10 5 2 0 0 0^ 11 15 1 0 0 0^ 12 16 1 0 0 0^ 13 3 1 0 0 0^ 14 5 1 0 0 0^ 15 2 1 0 0 0^ 16 2 1 0 0 0^ 17 7 1 0 0 0^ 4 6 1 0 0 0^ 12 11 2 0 0 0^M END^^
Structure View
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