Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: E-4021
Compound Identifier: 706161
Mol Structure 2D: 706161
Molecular Weight: 441
Formula: C22 H21 Cl N4 O4
Development Status: Clinical, Phase II/III
SMILES: OC(=O)C1CCN(CC1)c2nc(NCc3ccc4OCOc4c3)c5cc(Cl)ccc5n2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223212D 0 0.00000 0.00000 0^^ 31 35 0 0 0 999 V2000^ 4.6375 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.6375 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9042 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9042 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0^ 5.3625 -2.5042 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.2000 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.4542 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9042 -4.9875 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.7542 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7542 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4792 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.5792 -5.2042 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.5792 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.0417 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.3625 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.0417 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7417 -1.6667 0.0000 C 0 0 3 0 0 0 0 0 0^ 6.0792 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.4417 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.4792 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0417 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7417 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0792 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7542 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.3625 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.6292 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.1500 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.7542 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.3625 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0417 -4.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 2 0 0 0^ 4 3 1 0 0 0^ 5 2 2 0 0 0^ 6 2 1 0 0 0^ 7 4 2 0 0 0^ 8 18 1 0 0 0^ 9 3 1 0 0 0^ 10 19 1 0 0 0^ 11 24 1 0 0 0^ 12 4 1 0 0 0^ 13 10 1 0 0 0^ 14 11 1 0 0 0^ 15 6 1 0 0 0^ 16 6 1 0 0 0^ 17 13 1 0 0 0^ 18 22 1 0 0 0^ 19 26 2 0 0 0^ 20 8 2 0 0 0^ 21 7 1 0 0 0^ 22 16 1 0 0 0^ 23 15 1 0 0 0^ 24 30 2 0 0 0^ 25 12 2 0 0 0^ 26 27 1 0 0 0^ 27 9 1 0 0 0^ 28 8 1 0 0 0^ 29 25 1 0 0 0^ 30 26 1 0 0 0^ 31 25 1 0 0 0^ 7 5 1 0 0 0^ 18 23 1 0 0 0^ 21 29 2 0 0 0^ 11 10 2 0 0 0^ 17 14 1 0 0 0^M END^^
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