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Compound Report Overview

Compound Name: SK&F-105494

Compound Identifier: 703126

Mol Structure 2D: 703126

Molecular Weight: 1102

Formula: C54 H83 N15 O10

Development Status: Clinical, Phase I

SMILES: CCOc1ccc(CC2NC(=O)CC3(CCCCC3)CCCC(NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(Cc4ccccc4)NC2=O)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)cc1

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100223112D 0 0.00000 0.00000 0^^ 79 82 0 1 0 999 V2000^ -1.4958 0.9250 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.7958 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4500 0.7208 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.5208 0.7208 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.8333 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5750 0.9250 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.2375 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8708 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1458 0.7208 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.1000 0.9250 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.5625 0.9250 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.2667 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1833 0.9250 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.3042 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2125 0.7208 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.9000 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6167 0.7208 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.6542 0.9250 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.0958 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9125 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0167 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9167 0.7208 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.3375 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1917 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 0.9250 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.0000 0.7208 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.9125 1.5583 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.0042 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.7958 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.8333 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.2375 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8708 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2083 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1833 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2667 1.4083 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3042 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2583 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.3375 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.5375 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0^ -3.8958 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1917 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6042 2.1500 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6750 -0.4625 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.2917 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.2167 2.1500 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6875 0.7208 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.1458 0.3208 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.5500 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.8583 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1708 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8333 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8583 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5208 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5208 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1708 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8625 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.9167 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5292 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1958 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0000 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9208 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1833 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3292 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4583 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8083 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5083 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8333 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4958 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3375 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1875 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.9208 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1833 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1375 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4958 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1375 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5500 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 9 1 0 0 0^ 3 2 1 0 0 0^ 4 13 1 0 0 0^ 5 1 1 0 0 0^ 6 7 1 0 0 0^ 7 10 1 0 0 0^ 8 4 1 0 0 0^ 9 1 1 0 0 0^ 10 3 1 0 0 0^ 11 15 1 0 0 0^ 12 22 1 0 0 0^ 13 5 1 0 0 0^ 14 25 1 0 0 0^ 15 8 1 0 0 0^ 16 11 1 0 0 0^ 17 12 1 0 0 0^ 18 14 1 0 0 0^ 10 19 1 1 0 0^ 20 42 1 0 0 0^ 21 43 1 0 0 0^ 22 6 1 0 0 0^ 23 26 1 0 0 0^ 24 19 1 0 0 0^ 25 17 1 0 0 0^ 26 18 1 0 0 0^ 27 20 2 0 0 0^ 28 21 2 0 0 0^ 29 2 2 0 0 0^ 30 5 2 0 0 0^ 31 7 2 0 0 0^ 32 8 2 0 0 0^ 15 33 1 1 0 0^ 13 34 1 1 0 0^ 35 12 2 0 0 0^ 36 14 2 0 0 0^ 37 16 2 0 0 0^ 38 23 2 0 0 0^ 39 40 1 0 0 0^ 40 16 1 0 0 0^ 41 24 2 0 0 0^ 42 64 1 0 0 0^ 43 65 1 0 0 0^ 44 21 1 0 0 0^ 45 20 1 0 0 0^ 46 23 1 0 0 0^ 9 47 1 6 0 0^ 48 24 1 0 0 0^ 49 33 1 0 0 0^ 50 55 2 0 0 0^ 51 34 1 0 0 0^ 52 49 1 0 0 0^ 53 49 2 0 0 0^ 54 52 2 0 0 0^ 55 53 1 0 0 0^ 56 50 1 0 0 0^ 57 22 1 0 0 0^ 58 57 1 0 0 0^ 59 58 1 0 0 0^ 25 60 1 1 0 0^ 26 61 1 1 0 0^ 62 39 1 0 0 0^ 63 39 1 0 0 0^ 64 71 1 0 0 0^ 65 72 1 0 0 0^ 66 47 1 0 0 0^ 67 47 1 0 0 0^ 68 56 1 0 0 0^ 69 51 1 0 0 0^ 70 51 2 0 0 0^ 71 60 1 0 0 0^ 72 61 1 0 0 0^ 73 68 1 0 0 0^ 74 62 1 0 0 0^ 75 63 1 0 0 0^ 76 70 1 0 0 0^ 77 69 2 0 0 0^ 78 76 2 0 0 0^ 79 75 1 0 0 0^ 78 77 1 0 0 0^ 50 54 1 0 0 0^ 59 39 1 0 0 0^ 79 74 1 0 0 0^M END^^

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