Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: BMY-21502
Compound Identifier: 705846
Mol Structure 2D: 705846
Molecular Weight: 328
Formula: C15 H19 F3 N4 O
Development Status: Clinical, Phase II/III
SMILES: FC(F)(F)c1nccc(n1)N2CCC(CN3CCCC3=O)CC2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223092D 0 0.00000 0.00000 0^^ 23 25 0 0 0 999 V2000^ -1.8708 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.6500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4333 -0.2167 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.0958 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8750 0.6875 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.3125 -0.2167 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.5875 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6500 -1.5792 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.0667 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0958 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3125 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4792 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5875 2.1125 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2083 -0.6667 0.0000 F 0 0 0 0 0 0 0 0 0^ -4.1958 0.2083 0.0000 F 0 0 0 0 0 0 0 0 0^ -3.4458 0.6833 0.0000 F 0 0 0 0 0 0 0 0 0^ -1.8708 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2750 0.6833 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.1250 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2750 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4792 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 2 1 0 0 0^ 4 1 1 0 0 0^ 5 9 1 0 0 0^ 6 4 1 0 0 0^ 7 5 1 0 0 0^ 8 2 1 0 0 0^ 9 18 1 0 0 0^ 10 4 2 0 0 0^ 11 6 1 0 0 0^ 12 6 1 0 0 0^ 13 7 2 0 0 0^ 14 3 1 0 0 0^ 15 3 1 0 0 0^ 16 3 1 0 0 0^ 17 10 1 0 0 0^ 18 20 1 0 0 0^ 19 5 1 0 0 0^ 20 12 1 0 0 0^ 21 11 1 0 0 0^ 22 7 1 0 0 0^ 23 19 1 0 0 0^ 17 8 2 0 0 0^ 18 21 1 0 0 0^ 23 22 1 0 0 0^M END^^
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