Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: PD-131628
Compound Identifier: 703338
Mol Structure 2D: 703338
Molecular Weight: 332
Formula: C16 H17 F N4 O3
Development Status: Clinical, Phase I
SMILES: NC1CCN(C1)c2nc3n(cc(C(=O)O)c(=O)c3cc2F)C4CC4
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223152D 0 0.00000 0.00000 0^^ 24 27 0 1 0 999 V2000^ 0.8292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8292 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5292 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6875 -0.5917 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.0000 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5292 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8333 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6708 -0.5917 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.0000 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6875 -1.5500 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.3917 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1542 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2125 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4958 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0208 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6875 2.2958 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.3917 2.2583 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.9958 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6708 1.3750 0.0000 F 0 0 0 0 0 0 0 0 0^ -3.2833 -0.5667 0.0000 C 0 0 2 0 0 0 0 0 0^ 4.2375 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.1583 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 7 2 0 0 0^ 4 1 1 0 0 0^ 5 1 1 0 0 0^ 6 2 1 0 0 0^ 7 4 1 0 0 0^ 8 5 2 0 0 0^ 9 8 1 0 0 0^ 10 2 1 0 0 0^ 11 4 1 0 0 0^ 12 3 1 0 0 0^ 13 8 1 0 0 0^ 14 11 1 0 0 0^ 15 11 1 0 0 0^ 16 9 1 0 0 0^ 17 9 1 0 0 0^ 18 6 2 0 0 0^ 19 12 2 0 0 0^ 20 17 1 0 0 0^ 21 13 1 0 0 0^ 22 16 1 0 0 0^ 23 12 1 0 0 0^ 22 24 1 6 0 0^ 3 6 1 0 0 0^ 13 10 2 0 0 0^ 15 14 1 0 0 0^ 20 22 1 0 0 0^M END^^
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