Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: A-81988
Compound Identifier: 704304
Mol Structure 2D: 704304
Molecular Weight: 414
Formula: C23 H22 N6 O2
Development Status: Preclinical
SMILES: CCCN(Cc1ccc(cc1)c2ccccc2c3nnn[nH]3)c4ncccc4C(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222022D 0 0.00000 0.00000 0^^ 31 34 0 0 0 999 V2000^ 2.8417 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0083 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3542 0.5583 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.0083 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0500 -0.3292 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.2500 0.5583 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.5417 -0.3125 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.8417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2500 0.6000 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.2333 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0292 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8458 0.6000 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.1917 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2500 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2333 3.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1917 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3667 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4458 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4000 2.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8458 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4458 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3667 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3708 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0292 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6500 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4292 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6500 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6417 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2417 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 9 1 0 0 0^ 3 5 1 0 0 0^ 4 2 2 0 0 0^ 5 1 2 0 0 0^ 6 7 1 0 0 0^ 7 1 1 0 0 0^ 8 1 1 0 0 0^ 9 14 1 0 0 0^ 10 4 1 0 0 0^ 11 8 2 0 0 0^ 12 2 1 0 0 0^ 13 11 1 0 0 0^ 14 18 1 0 0 0^ 15 10 2 0 0 0^ 16 13 2 0 0 0^ 17 13 1 0 0 0^ 18 21 1 0 0 0^ 19 10 1 0 0 0^ 20 4 1 0 0 0^ 21 17 2 0 0 0^ 22 16 1 0 0 0^ 23 9 1 0 0 0^ 24 8 1 0 0 0^ 25 11 1 0 0 0^ 26 12 2 0 0 0^ 27 23 1 0 0 0^ 28 26 1 0 0 0^ 29 30 1 0 0 0^ 30 24 2 0 0 0^ 31 27 1 0 0 0^ 3 6 2 0 0 0^ 29 25 2 0 0 0^ 18 22 2 0 0 0^ 28 20 2 0 0 0^M END^^
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