Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: METAPHIT
Compound Identifier: 704567
Mol Structure 2D: 704567
Molecular Weight: 300
Formula: C18 H24 N2 S
Development Status: Biochemical standard
SMILES: S=C=Nc1cccc(c1)C2(CCCCC2)N3CCCCC3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222152D 0 0.00000 0.00000 0^^ 21 23 0 0 0 999 V2000^ -2.0333 0.5625 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.3583 -0.4542 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.1792 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8833 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1125 -0.2292 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.2542 0.9500 0.0000 S 0 0 0 0 0 0 0 0 0^ 0.0500 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2000 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9083 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1250 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2458 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9833 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6458 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5042 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4292 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2333 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5375 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4000 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0208 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 5 2 0 0 0^ 4 1 1 0 0 0^ 5 8 1 0 0 0^ 6 3 2 0 0 0^ 7 4 2 0 0 0^ 8 7 1 0 0 0^ 9 2 1 0 0 0^ 10 2 1 0 0 0^ 11 1 1 0 0 0^ 12 1 1 0 0 0^ 13 4 1 0 0 0^ 14 13 2 0 0 0^ 15 14 1 0 0 0^ 16 9 1 0 0 0^ 17 10 1 0 0 0^ 18 12 1 0 0 0^ 19 11 1 0 0 0^ 20 18 1 0 0 0^ 21 17 1 0 0 0^ 20 19 1 0 0 0^ 15 8 2 0 0 0^ 21 16 1 0 0 0^M END^^
Structure View
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