Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: LERGOTRILE
Compound Identifier: 701867
Mol Structure 2D: 701867
Molecular Weight: 300
Formula: C17 H18 Cl N3
Development Status: Preclinical
SMILES: CN1CC(CC#N)CC2C1Cc3c(Cl)[nH]c4cccc2c34
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222422D 0 0.00000 0.00000 0^^ 24 27 0 1 0 999 V2000^ -1.5250 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6333 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1208 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2958 0.6208 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.7083 -1.4792 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.5125 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2000 -0.4167 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.4042 -0.4167 0.0000 N 0 0 3 0 0 0 0 0 0^ -3.2958 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3208 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7792 3.4583 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.9792 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2500 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1667 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6500 -3.3750 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 1.4042 1.5458 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.0750 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2042 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8708 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6167 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3250 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7708 1.7208 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.7000 -1.6250 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.3250 2.7333 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 1 1 0 0 0^ 4 7 1 0 0 0^ 5 2 1 0 0 0^ 6 3 1 0 0 0^ 7 10 1 0 0 0^ 8 7 1 0 0 0^ 9 3 2 0 0 0^ 10 1 1 0 0 0^ 11 14 3 0 0 0^ 12 8 1 0 0 0^ 13 4 1 0 0 0^ 14 20 1 0 0 0^ 15 2 1 0 0 0^ 16 12 1 0 0 0^ 17 6 2 0 0 0^ 18 8 1 0 0 0^ 19 9 1 0 0 0^ 16 20 1 1 0 0^ 21 19 2 0 0 0^ 4 22 1 6 0 0^ 7 23 1 1 0 0^ 16 24 1 6 0 0^ 5 9 1 0 0 0^ 4 6 1 0 0 0^ 21 17 1 0 0 0^ 16 13 1 0 0 0^M END^^
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