Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: ICI-D2138
Compound Identifier: 703363
Mol Structure 2D: 703363
Molecular Weight: 397
Formula: C23 H24 F N O4
Development Status: Clinical, Phase II/III
SMILES: COC1(CCOCC1)c2cc(F)cc(OCc3ccc4n(C)c(=O)ccc4c3)c2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223152D 0 0.00000 0.00000 0^^ 29 32 0 0 0 999 V2000^ -3.3208 -1.1292 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.6708 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9583 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6833 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9583 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0000 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3208 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6542 -0.0292 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.0083 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3375 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0000 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6667 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0083 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3375 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.5958 -1.1375 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.6667 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9417 -0.7750 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.0208 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3458 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6542 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3042 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3458 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3208 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6542 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3375 2.3083 0.0000 F 0 0 0 0 0 0 0 0 0^ -0.6833 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3042 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9417 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3042 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 3 1 0 0 0^ 6 10 1 0 0 0^ 7 5 2 0 0 0^ 8 6 1 0 0 0^ 9 2 2 0 0 0^ 10 12 2 0 0 0^ 11 14 1 0 0 0^ 12 18 1 0 0 0^ 13 4 2 0 0 0^ 14 16 2 0 0 0^ 15 3 2 0 0 0^ 16 12 1 0 0 0^ 17 28 1 0 0 0^ 18 26 1 0 0 0^ 19 22 2 0 0 0^ 20 8 1 0 0 0^ 21 8 1 0 0 0^ 22 9 1 0 0 0^ 23 1 1 0 0 0^ 24 8 1 0 0 0^ 25 14 1 0 0 0^ 26 19 1 0 0 0^ 27 20 1 0 0 0^ 28 21 1 0 0 0^ 29 24 1 0 0 0^ 7 4 1 0 0 0^ 13 19 1 0 0 0^ 11 6 2 0 0 0^ 17 27 1 0 0 0^M END^^
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