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Compound Report Overview

Compound Name: 2-CF3-4-(3-CYANOPHENYL)-5-OXOHEXAHYDROQUINOLINE1
Compound Identifier: 702612
Mol Structure 2D: 702612
Molecular Weight: 318
Formula: C17 H13 F3 N2 O
Development Status: Preclinical
SMILES: FC(F)(F)C1=CC(C2=C(CCCC2=O)N1)c3cccc(C#N)c3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222582D 0 0.00000 0.00000 0^^ 23 25 0 0 0 999 V2000^ -0.9583 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9583 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0458 -0.2167 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.8625 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0583 -2.3292 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.8667 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7750 -2.3417 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.0583 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8708 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6917 3.4708 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.7792 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8667 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8833 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6917 -1.8167 0.0000 F 0 0 0 0 0 0 0 0 0^ 2.6792 -2.8667 0.0000 F 0 0 0 0 0 0 0 0 0^ 1.7667 -3.4000 0.0000 F 0 0 0 0 0 0 0 0 0^ 0.8667 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8708 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9458 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7750 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7750 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9458 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0458 2.9458 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 6 2 0 0 0^ 5 2 1 0 0 0^ 6 3 1 0 0 0^ 7 4 1 0 0 0^ 8 3 1 0 0 0^ 9 1 1 0 0 0^ 10 11 3 0 0 0^ 11 17 1 0 0 0^ 12 8 2 0 0 0^ 13 9 2 0 0 0^ 14 7 1 0 0 0^ 15 7 1 0 0 0^ 16 7 1 0 0 0^ 17 12 1 0 0 0^ 18 2 1 0 0 0^ 19 8 1 0 0 0^ 20 9 1 0 0 0^ 21 20 1 0 0 0^ 22 19 2 0 0 0^ 23 22 1 0 0 0^ 4 5 1 0 0 0^ 21 18 1 0 0 0^ 23 17 2 0 0 0^M END^^
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