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Compound Report Overview

Compound Name: ICX5608904
Compound Identifier: 707865
Mol Structure 2D: 707865
Molecular Weight: 924
Formula: C50 H65 N7 O10
Development Status: Laboratory Testing
SMILES: CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C)C(c1ccccc1)c2ccccc2)C(=O)NC(C(C)CC)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O
Compound Structures
>^ ISISHOST06100221392D 0 0.00000 0.00000 0^^ 67 70 0 0 0 999 V2000^ -1.3250 -0.7250 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.6083 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9667 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.5375 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0^ 10.1042 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3917 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6792 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5292 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1042 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0^ 8.6792 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0^ 11.4167 -2.6500 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2500 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0^ 5.1042 -1.1375 0.0000 C 0 0 2 0 0 0 0 0 0^ 7.2500 -0.7250 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.9625 -0.7250 0.0000 C 0 0 1 0 0 0 0 0 0^ 10.8625 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9625 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.3917 -1.1375 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.8167 -1.1375 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.0375 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.3250 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0^ 10.2000 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.1042 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.3917 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6792 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0375 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.0042 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6083 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.8167 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.9667 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6792 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.5292 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0^ 10.1042 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8167 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3917 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.6083 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0375 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3250 -2.3750 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.1042 -1.9625 0.0000 C 0 0 3 0 0 0 0 0 0^ 7.2500 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0^ 10.8167 -1.1375 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6792 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0^ 9.6500 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5292 -2.3750 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.7500 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.2542 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1000 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6125 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0375 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7500 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8167 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9667 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3917 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.5375 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2500 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5292 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8167 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9667 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.9000 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.7042 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1000 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7500 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4625 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8167 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8167 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4625 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 14 1 0 0 0^ 4 15 1 0 0 0^ 5 3 1 0 0 0^ 6 25 1 0 0 0^ 7 8 1 0 0 0^ 8 16 1 0 0 0^ 9 20 1 0 0 0^ 10 2 1 0 0 0^ 11 4 1 0 0 0^ 12 17 1 0 0 0^ 13 9 1 0 0 0^ 14 7 1 0 0 0^ 15 5 1 0 0 0^ 16 13 1 0 0 0^ 17 6 2 0 0 0^ 16 18 1 1 0 0^ 19 11 1 0 0 0^ 20 10 1 0 0 0^ 21 1 1 0 0 0^ 1 22 1 1 0 0^ 23 6 1 0 0 0^ 24 19 1 0 0 0^ 19 25 1 1 0 0^ 26 18 1 0 0 0^ 27 21 1 0 0 0^ 28 23 2 0 0 0^ 29 2 2 0 0 0^ 30 3 2 0 0 0^ 31 4 2 0 0 0^ 32 8 2 0 0 0^ 33 9 2 0 0 0^ 34 24 2 0 0 0^ 20 35 1 1 0 0^ 36 26 2 0 0 0^ 37 22 1 0 0 0^ 38 22 1 0 0 0^ 39 27 2 0 0 0^ 14 40 1 1 0 0^ 15 41 1 6 0 0^ 42 24 1 0 0 0^ 43 26 1 0 0 0^ 44 23 1 0 0 0^ 45 35 1 0 0 0^ 46 27 1 0 0 0^ 47 28 1 0 0 0^ 48 37 2 0 0 0^ 49 37 1 0 0 0^ 50 38 2 0 0 0^ 51 38 1 0 0 0^ 52 40 1 0 0 0^ 53 41 1 0 0 0^ 54 40 1 0 0 0^ 55 41 1 0 0 0^ 56 45 1 0 0 0^ 57 45 1 0 0 0^ 58 52 1 0 0 0^ 59 53 1 0 0 0^ 60 44 2 0 0 0^ 61 60 1 0 0 0^ 62 49 2 0 0 0^ 63 50 1 0 0 0^ 64 51 2 0 0 0^ 65 48 1 0 0 0^ 66 62 1 0 0 0^ 67 64 1 0 0 0^ 63 67 2 0 0 0^ 65 66 2 0 0 0^ 28 12 1 0 0 0^ 61 47 2 0 0 0^M END^^
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