Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: RICASETRON
Compound Identifier: 703053
Mol Structure 2D: 703053
Molecular Weight: 313
Formula: C19 H27 N3 O
Development Status: Clinical, Phase II/III
SMILES: CN1C2CCC1CC(C2)NC(=O)N3CC(C)(C)c4ccccc34
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223092D 0 0.00000 0.00000 0^^ 24 27 0 0 0 999 V2000^ 8.3375 -2.4875 0.0000 N 0 0 3 0 0 0 0 0 0^ 6.9167 -2.4792 0.0000 N 0 0 0 0 0 0 0 0 0^ 5.2719 -0.3962 0.0000 N 0 0 3 0 0 0 0 0 0^ 7.6250 -2.8958 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8375 -0.8458 0.0000 C 0 0 3 0 0 0 0 0 0^ 5.4083 -1.2250 0.0000 C 0 0 3 0 0 0 0 0 0^ 6.9208 -1.6542 0.0000 C 0 0 2 0 0 0 0 0 0^ 6.3958 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7792 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.6208 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.5125 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8833 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7167 -1.4375 0.0000 H 0 0 0 0 0 0 0 0 0^ 4.9125 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.2346 -1.5043 0.0000 C 0 0 3 0 0 0 0 0 0^ 8.4297 -1.6700 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.6409 -2.2188 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.0872 -2.8225 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.3337 -3.6018 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.1333 -3.7784 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.6861 -3.1697 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.4368 -2.3928 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.2292 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.9458 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 12 6 1 0 0 0^ 13 7 1 0 0 0^ 11 12 1 0 0 0^ 3 14 1 0 0 0^ 4 1 1 0 0 0^ 1 18 1 0 0 0^ 8 7 1 0 0 0^ 4 2 1 0 0 0^ 17 15 1 0 0 0^ 15 16 1 0 0 0^ 16 1 1 0 0 0^ 5 3 1 0 0 0^ 6 3 1 0 0 0^ 17 18 2 0 0 0^ 7 9 1 0 0 0^ 18 19 1 0 0 0^ 7 2 1 6 0 0^ 19 20 2 0 0 0^ 8 6 1 1 0 0^ 20 21 1 0 0 0^ 9 5 1 0 0 0^ 21 22 2 0 0 0^ 22 17 1 0 0 0^ 10 4 2 0 0 0^ 15 23 1 0 0 0^ 11 5 1 0 0 0^ 15 24 1 0 0 0^M END^^
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