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Compound Report Overview

Compound Name: ORG-9453
Compound Identifier: 703965
Mol Structure 2D: 703965
Molecular Weight: 666
Formula: C36 H61 N2 O4 . Br
Development Status: Clinical, Phase I
SMILES: [Br-].CCCC(=O)OC1C(CC2C3CCC4CC(OC(=O)C)C(CC4(C)C3CCC12C)N5CCCCC5)[N+]6(C)CCCCC6
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223242D 0 0.00000 0.00000 0^^ 47 51 0 1 0 999 V2000^ 0.6625 0.5250 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.0833 -0.4375 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.6625 -0.1125 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.2625 0.7458 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6250 0.2083 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.4833 -0.1167 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.0917 -0.4375 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.2875 0.2083 0.0000 N 0 3 3 0 0 0 0 0 0^ -2.2458 -0.4375 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.2458 -1.0542 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.2750 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6583 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0833 -1.1000 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.8458 -0.1375 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.0917 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2625 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6708 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4833 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8125 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.0917 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8375 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8125 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4833 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3833 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8375 2.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5667 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8792 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6292 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6417 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4083 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8458 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3917 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2583 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9500 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9833 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4083 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5042 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9833 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0917 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.4833 -0.7917 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.0833 -1.8417 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.6625 -0.8167 0.0000 H 0 0 0 0 0 0 0 0 0^ 4.4000 0.1833 0.0000 Br 0 5 0 0 0 0 0 0 0^ 2 6 1 0 0 0^ 3 1 1 0 0 0^ 4 1 1 0 0 0^ 5 4 1 0 0 0^ 6 18 1 0 0 0^ 7 3 1 0 0 0^ 5 8 1 1 0 0^ 9 12 1 0 0 0^ 10 17 1 0 0 0^ 11 3 1 0 0 0^ 12 2 1 0 0 0^ 13 2 1 0 0 0^ 9 14 1 1 0 0^ 15 1 1 0 0 0^ 4 16 1 1 0 0^ 17 13 1 0 0 0^ 18 15 1 0 0 0^ 10 19 1 6 0 0^ 20 7 1 0 0 0^ 21 16 1 0 0 0^ 22 19 1 0 0 0^ 23 20 1 0 0 0^ 24 22 2 0 0 0^ 25 21 2 0 0 0^ 1 26 1 1 0 0^ 2 27 1 1 0 0^ 28 8 1 0 0 0^ 29 8 1 0 0 0^ 30 8 1 0 0 0^ 31 14 1 0 0 0^ 32 14 1 0 0 0^ 33 21 1 0 0 0^ 34 22 1 0 0 0^ 35 33 1 0 0 0^ 36 30 1 0 0 0^ 37 29 1 0 0 0^ 38 31 1 0 0 0^ 39 32 1 0 0 0^ 40 35 1 0 0 0^ 41 39 1 0 0 0^ 42 36 1 0 0 0^ 7 43 1 1 0 0^ 6 44 1 6 0 0^ 13 45 1 6 0 0^ 3 46 1 6 0 0^ 5 11 1 0 0 0^ 6 7 1 0 0 0^ 13 23 1 0 0 0^ 42 37 1 0 0 0^ 10 9 1 0 0 0^ 41 38 1 0 0 0^M CHG 2 8 1 47 -1^M END^^
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