Viewing Compound With Structures

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Compound Report Overview

Compound Name: PD-131112
Compound Identifier: 703349
Mol Structure 2D: 703349
Molecular Weight: 403
Formula: C19 H22 F N5 O4
Development Status: Clinical, Phase I
SMILES: CC(N)C(=O)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^^ 29 32 0 1 0 999 V2000^ 1.6167 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6167 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9375 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2792 -0.4917 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.9542 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2792 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9375 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3583 -0.4792 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.9542 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2792 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.6000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8833 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2250 -0.1167 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.9000 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9583 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5958 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2792 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5750 -0.4792 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.8833 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6000 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3333 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5458 -0.1167 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.3625 1.0333 0.0000 F 0 0 0 0 0 0 0 0 0^ 4.2542 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2083 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.5458 0.6375 0.0000 C 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 15 1 0 0 0^ 21 15 1 6 0 0^ 16 11 1 0 0 0^ 17 11 1 0 0 0^ 18 9 1 0 0 0^ 19 9 1 0 0 0^ 20 6 2 0 0 0^ 21 18 1 0 0 0^ 22 14 2 0 0 0^ 23 12 2 0 0 0^ 24 19 1 0 0 0^ 25 14 1 0 0 0^ 26 13 1 0 0 0^ 27 12 1 0 0 0^ 28 25 1 0 0 0^ 25 29 1 1 0 0^ 3 6 1 0 0 0^ 13 10 2 0 0 0^ 17 16 1 0 0 0^ 24 21 1 0 0 0^M END^^
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