Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: B-850040
Compound Identifier: 703193
Mol Structure 2D: 703193
Molecular Weight: 469
Formula: C6 H16 N2 O . C6 H6 O4 Pt
Development Status: Clinical, Phase I
SMILES: COCC(C)(CN)CN.O=C1O[Pt]OC(=O)C21CCC2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223122D 0 0.00000 0.00000 0^^ 20 20 0 0 0 999 V2000^ 2.7792 0.0500 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.2375 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2125 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5167 0.0500 0.0000 Pt 0 0 0 0 0 0 0 0 0^ 1.0792 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1000 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8000 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7792 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5500 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5500 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3375 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0583 0.0583 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.5083 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4875 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3625 -0.9125 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.3458 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.6375 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6333 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7833 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3458 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 9 1 1 0 0 0^ 10 1 1 0 0 0^ 11 10 1 0 0 0^ 11 9 1 0 0 0^ 4 6 1 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 5 1 0 0 0^ 5 3 1 0 0 0^ 6 2 1 0 0 0^ 7 2 2 0 0 0^ 8 3 2 0 0 0^ 13 12 1 0 0 0^ 14 12 1 0 0 0^ 15 13 1 0 0 0^ 16 14 1 0 0 0^ 17 12 1 0 0 0^ 18 12 1 0 0 0^ 19 17 1 0 0 0^ 20 19 1 0 0 0^M END^^
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