Viewing Compound With Structures

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Compound Report Overview

Compound Name: TRECADRINE
Compound Identifier: 702892
Mol Structure 2D: 702892
Molecular Weight: 384
Formula: C27 H29 N O
Development Status: Clinical, Phase II/III
SMILES: CC(C(O)c1ccccc1)N(C)CC=C2c3ccccc3CCc4ccccc24
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223072D 0 0.00000 0.00000 0^^ 29 32 0 1 0 999 V2000^ -0.9833 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9833 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3208 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6583 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0500 -1.2042 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.3792 -1.6000 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.3000 -1.2125 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.3000 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8500 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1125 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7250 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3875 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5458 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0417 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2250 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9750 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6292 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5958 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7250 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3917 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9792 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9583 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1583 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4000 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0667 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0750 -2.3667 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 1 1 0 0 0^ 5 6 1 0 0 0^ 6 7 1 0 0 0^ 7 8 1 0 0 0^ 8 2 1 0 0 0^ 9 4 1 0 0 0^ 10 3 1 0 0 0^ 11 5 1 0 0 0^ 12 9 1 0 0 0^ 13 10 1 0 0 0^ 5 14 1 6 0 0^ 15 4 2 0 0 0^ 16 3 2 0 0 0^ 6 17 1 6 0 0^ 18 7 1 0 0 0^ 19 10 2 0 0 0^ 20 9 2 0 0 0^ 21 11 2 0 0 0^ 22 11 1 0 0 0^ 23 16 1 0 0 0^ 24 15 1 0 0 0^ 25 24 2 0 0 0^ 26 23 2 0 0 0^ 27 21 1 0 0 0^ 28 22 2 0 0 0^ 29 28 1 0 0 0^ 13 12 1 0 0 0^ 25 20 1 0 0 0^ 26 19 1 0 0 0^ 29 27 2 0 0 0^M END^^
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