Viewing Compound With Structures

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Compound Report Overview

Compound Name: ISOTIC
Compound Identifier: 701514
Mol Structure 2D: 701514
Molecular Weight: 453
Formula: C26 H24 N6 O2
Development Status: Preclinical
SMILES: O=C(Nc1ccc(cc1)C2=NCCN2)c3cccc(c3)C(=O)Nc4ccc(cc4)C5=NCCN5
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222352D 0 0.00000 0.00000 0^^ 34 38 0 0 0 999 V2000^ -2.5625 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5083 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8042 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1500 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3917 -1.4000 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.6667 3.4375 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.1000 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.8458 2.5208 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.0708 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0583 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5458 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7167 1.7333 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.5750 -3.3417 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.0750 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6792 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5458 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3958 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1333 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9000 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3250 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2417 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6000 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6000 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4083 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4083 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6833 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7083 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4167 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7292 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0458 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0458 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7292 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4292 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5833 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 10 1 0 0 0^ 3 15 1 0 0 0^ 4 14 1 0 0 0^ 5 3 2 0 0 0^ 6 4 2 0 0 0^ 7 1 1 0 0 0^ 8 2 1 0 0 0^ 9 1 1 0 0 0^ 10 11 1 0 0 0^ 11 9 2 0 0 0^ 12 4 1 0 0 0^ 13 3 1 0 0 0^ 14 23 2 0 0 0^ 15 21 1 0 0 0^ 16 1 2 0 0 0^ 17 2 2 0 0 0^ 18 7 1 0 0 0^ 19 8 1 0 0 0^ 20 26 1 0 0 0^ 21 27 2 0 0 0^ 22 24 2 0 0 0^ 23 25 1 0 0 0^ 24 19 1 0 0 0^ 25 19 2 0 0 0^ 26 18 2 0 0 0^ 27 18 1 0 0 0^ 28 5 1 0 0 0^ 29 6 1 0 0 0^ 30 9 1 0 0 0^ 31 34 1 0 0 0^ 32 12 1 0 0 0^ 33 13 1 0 0 0^ 34 30 2 0 0 0^ 31 10 2 0 0 0^ 15 20 2 0 0 0^ 14 22 1 0 0 0^ 28 33 1 0 0 0^ 29 32 1 0 0 0^M END^^
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