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Compound Report Overview

Compound Name: SCOPAFUNGIN

Compound Identifier: 705035

Mol Structure 2D: 705035

Molecular Weight: 1142

Formula: C59 H103 N3 O18

Development Status: Preclinical

SMILES: CNC(=N)NCCCC=CCCCC(C)CC(C)C1OC(=O)C(C)C(O)C=CC(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)C2O)CC(CC(O)CC(O)C(C)C(O)C=CC=CC1C)OC(=O)CC(=O)O

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222372D 0 0.00000 0.00000 0^^ 80 81 0 1 0 999 V2000^ 1.0042 0.9708 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.9750 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5458 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0042 1.4833 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.5875 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4667 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.9750 -0.7917 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.1625 -1.3167 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.4542 1.7333 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.2750 0.9833 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.1500 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8792 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8167 0.9833 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.6833 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0042 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.7833 0.6750 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.5375 -0.6250 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.5542 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2500 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7208 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8167 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1875 0.9708 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.9375 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3917 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7208 -1.5167 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.2125 0.2833 0.0000 C 0 0 3 0 0 0 0 0 0^ -3.1125 0.9833 0.0000 C 0 0 3 0 0 0 0 0 0^ -3.2875 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.2917 -1.1417 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.1917 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5083 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7792 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.7917 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1417 -0.3667 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.3583 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0^ -3.7208 0.7458 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.5542 1.2708 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.7917 -0.3542 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.1625 -0.7167 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.2125 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3458 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9375 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7625 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2708 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3333 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6583 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2000 0.7083 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.4292 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.8792 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.9958 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6208 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6500 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1792 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6750 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8625 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2750 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0625 0.1625 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.3042 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.2833 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0833 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.9208 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3792 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3583 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.1917 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.9708 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7833 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0042 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9625 -1.5917 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.8458 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2667 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5292 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3375 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5125 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8792 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5333 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0542 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1458 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0083 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 7 1 0 0 0^ 3 8 1 0 0 0^ 4 1 1 0 0 0^ 5 1 1 0 0 0^ 6 1 1 0 0 0^ 7 28 1 0 0 0^ 8 39 1 0 0 0^ 9 4 1 0 0 0^ 10 16 1 0 0 0^ 11 32 1 0 0 0^ 12 49 1 0 0 0^ 13 6 1 0 0 0^ 14 10 1 0 0 0^ 15 24 1 0 0 0^ 16 35 1 0 0 0^ 17 15 1 0 0 0^ 18 11 1 0 0 0^ 19 20 2 0 0 0^ 20 36 1 0 0 0^ 21 13 1 0 0 0^ 22 5 1 0 0 0^ 23 18 1 0 0 0^ 24 38 1 0 0 0^ 25 8 1 0 0 0^ 26 30 1 0 0 0^ 27 14 1 0 0 0^ 28 19 1 0 0 0^ 29 12 2 0 0 0^ 30 13 1 0 0 0^ 31 2 2 0 0 0^ 32 26 1 0 0 0^ 33 26 1 0 0 0^ 34 17 1 0 0 0^ 35 50 1 0 0 0^ 36 27 1 0 0 0^ 37 1 1 0 0 0^ 38 33 1 0 0 0^ 39 46 1 0 0 0^ 40 11 2 0 0 0^ 41 25 1 0 0 0^ 42 23 2 0 0 0^ 43 45 2 0 0 0^ 44 43 1 0 0 0^ 45 34 1 0 0 0^ 46 44 2 0 0 0^ 47 22 1 0 0 0^ 48 12 1 0 0 0^ 49 72 1 0 0 0^ 50 51 1 0 0 0^ 51 47 1 0 0 0^ 52 70 1 0 0 0^ 53 52 2 0 0 0^ 54 4 1 0 0 0^ 55 9 1 0 0 0^ 56 10 1 0 0 0^ 57 15 1 0 0 0^ 58 23 1 0 0 0^ 59 22 1 0 0 0^ 60 27 1 0 0 0^ 61 28 1 0 0 0^ 62 34 1 0 0 0^ 63 35 1 0 0 0^ 64 38 1 0 0 0^ 65 7 1 0 0 0^ 66 16 1 0 0 0^ 67 17 1 0 0 0^ 68 41 1 0 0 0^ 25 69 1 1 0 0^ 70 79 1 0 0 0^ 71 53 1 0 0 0^ 72 78 1 0 0 0^ 73 36 1 0 0 0^ 74 39 1 0 0 0^ 75 47 1 0 0 0^ 76 48 1 0 0 0^ 77 68 1 0 0 0^ 78 71 1 0 0 0^ 79 77 1 0 0 0^ 68 80 1 6 0 0^ 21 9 1 0 0 0^ 3 2 1 0 0 0^M END^^

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