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Compound Report Overview

Compound Name: OXECLOSPORIN

Compound Identifier: 706040

Mol Structure 2D: 706040

Molecular Weight: 1263

Formula: C64 H115 N11 O14

Development Status: Clinical, Phase I

SMILES: CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(COCCO)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100223162D 0 0.00000 0.00000 0^^ 90 90 0 1 0 999 V2000^ 2.8000 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.8000 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9792 1.5000 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.4167 -1.8292 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6292 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8250 1.7583 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.4167 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3458 1.5458 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.0542 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4458 -0.1542 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.7000 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7458 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2042 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.0542 1.7583 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.9083 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.7000 -1.7917 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.5250 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4000 1.7583 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.0625 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3250 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5250 1.7625 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6542 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.4542 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.1208 1.5458 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.4458 1.5458 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.2958 -1.7917 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.1458 -1.6042 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.8542 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6833 1.5458 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.9083 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2417 -1.6042 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.0542 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4167 -2.3167 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.2958 1.7625 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.1875 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6292 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4167 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2250 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0542 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7458 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.0542 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2042 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5250 -2.2125 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0625 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.3250 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8542 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.8750 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1250 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9083 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.4000 2.3958 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.2958 -2.2375 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.1667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1875 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9792 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1875 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8250 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3458 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0458 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8250 -2.5417 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.7000 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0667 -2.5042 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1208 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4542 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2417 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0125 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7000 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8250 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5917 0.3375 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.4167 2.8333 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.7583 -0.5042 0.0000 C 0 0 3 0 0 0 0 0 0^ -4.2458 1.5458 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.2958 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5750 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8875 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9792 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7792 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7000 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3708 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1875 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7000 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3708 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5917 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4167 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8250 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0042 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7583 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.6250 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2458 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5750 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7792 -2.0667 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 18 1 0 0 0^ 4 1 1 0 0 0^ 5 3 1 0 0 0^ 6 13 1 0 0 0^ 7 6 1 0 0 0^ 8 14 1 0 0 0^ 9 4 1 0 0 0^ 10 11 1 0 0 0^ 11 26 1 0 0 0^ 12 8 1 0 0 0^ 13 5 1 0 0 0^ 14 7 1 0 0 0^ 15 17 1 0 0 0^ 16 20 1 0 0 0^ 17 27 1 0 0 0^ 18 2 1 0 0 0^ 19 29 1 0 0 0^ 20 32 1 0 0 0^ 21 24 1 0 0 0^ 22 9 1 0 0 0^ 23 28 1 0 0 0^ 24 12 1 0 0 0^ 25 10 1 0 0 0^ 26 15 1 0 0 0^ 27 16 1 0 0 0^ 28 31 1 0 0 0^ 29 34 1 0 0 0^ 30 21 1 0 0 0^ 31 22 1 0 0 0^ 32 23 1 0 0 0^ 33 4 1 0 0 0^ 34 30 1 0 0 0^ 35 2 2 0 0 0^ 36 5 2 0 0 0^ 37 7 2 0 0 0^ 38 11 2 0 0 0^ 39 9 2 0 0 0^ 40 12 2 0 0 0^ 14 41 1 1 0 0^ 13 42 1 6 0 0^ 43 17 2 0 0 0^ 44 19 2 0 0 0^ 45 20 2 0 0 0^ 46 28 2 0 0 0^ 25 47 1 1 0 0^ 27 48 1 6 0 0^ 49 30 2 0 0 0^ 18 50 1 1 0 0^ 26 51 1 1 0 0^ 52 1 1 0 0 0^ 53 67 1 0 0 0^ 54 3 1 0 0 0^ 55 53 2 0 0 0^ 56 6 1 0 0 0^ 57 8 1 0 0 0^ 58 10 1 0 0 0^ 59 33 1 0 0 0^ 60 16 1 0 0 0^ 33 61 1 1 0 0^ 24 62 1 1 0 0^ 63 23 1 0 0 0^ 31 64 1 6 0 0^ 65 78 1 0 0 0^ 66 62 1 0 0 0^ 67 59 1 0 0 0^ 68 42 1 0 0 0^ 69 41 1 0 0 0^ 70 48 1 0 0 0^ 71 47 1 0 0 0^ 34 72 1 1 0 0^ 73 55 1 0 0 0^ 74 51 1 0 0 0^ 75 50 1 0 0 0^ 76 50 1 0 0 0^ 77 51 1 0 0 0^ 78 80 1 0 0 0^ 59 79 1 6 0 0^ 80 66 1 0 0 0^ 81 70 1 0 0 0^ 82 68 1 0 0 0^ 83 69 1 0 0 0^ 84 69 1 0 0 0^ 85 68 1 0 0 0^ 86 70 1 0 0 0^ 87 71 1 0 0 0^ 88 71 1 0 0 0^ 89 64 1 0 0 0^ 4 90 1 6 0 0^ 19 25 1 0 0 0^M END^^

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