Viewing Compound With Structures

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Compound Report Overview

Compound Name: PENCLOMEDINE
Compound Identifier: 703084
Mol Structure 2D: 703084
Molecular Weight: 325
Formula: C8 H6 Cl5 N O2
Development Status: Clinical, Phase I
SMILES: COc1nc(c(Cl)c(OC)c1Cl)C(Cl)(Cl)Cl
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223102D 0 0.00000 0.00000 0^^ 16 16 0 0 0 999 V2000^ -1.2000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0417 -1.5417 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.2000 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2917 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0417 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2917 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4458 -1.5417 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.5292 1.3333 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -2.4458 1.3333 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -2.8833 -2.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -3.4958 -0.7042 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -2.0833 -2.9792 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 0.0417 2.7708 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5292 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3125 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6667 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 1 1 0 0 0^ 4 5 1 0 0 0^ 5 3 2 0 0 0^ 6 2 1 0 0 0^ 7 1 1 0 0 0^ 8 4 1 0 0 0^ 9 3 1 0 0 0^ 10 7 1 0 0 0^ 11 7 1 0 0 0^ 12 7 1 0 0 0^ 13 5 1 0 0 0^ 14 6 1 0 0 0^ 15 13 1 0 0 0^ 16 14 1 0 0 0^ 4 6 2 0 0 0^M END^^
Structure View
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