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Compound Report Overview

Compound Name: VALSPODAR

Compound Identifier: 707123

Mol Structure 2D: 707123

Molecular Weight: 1215

Formula: C63 H111 N11 O12

Development Status: Discontinued at Phase II/III

SMILES: CC=CCC(C)C(=O)C1N(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(C)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)C(=O)C(NC1=O)C(C)C)C(C)C

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100223182D 0 0.00000 0.00000 0^^ 86 86 0 1 0 999 V2000^ -3.4083 1.1833 0.0000 N 0 0 3 0 0 0 0 0 0^ -3.3958 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1833 -1.7750 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.9833 1.4333 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.7208 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5458 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8750 -2.0042 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.4500 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4042 -1.7750 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.0292 1.4458 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.6042 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1208 1.4333 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.3083 -1.7750 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.0208 -2.0042 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.7375 1.2000 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.4542 1.4458 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.8375 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3167 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6000 -2.0042 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.4542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8208 1.1875 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.0250 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4542 1.2000 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.1750 1.4458 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.8917 1.1875 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.6875 1.1833 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.9875 -1.7417 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.7000 -2.0042 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.1167 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9833 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2625 -1.7417 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.4000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5542 -2.0042 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.8208 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7208 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4500 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5458 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6042 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3083 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8375 -2.4917 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2583 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.0208 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3167 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.9000 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.0250 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.9000 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8917 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1167 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.4208 2.4250 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.6000 -2.5167 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.1750 2.0375 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.6875 0.6375 0.0000 C 0 0 3 0 0 0 0 0 0^ -3.8458 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5583 2.4250 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.1208 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1833 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6875 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8750 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4042 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0292 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4542 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8208 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2625 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5583 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8750 -0.6542 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.4042 -3.2250 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.3167 0.2708 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.3250 1.2000 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.5542 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7500 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6042 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1208 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1833 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1208 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8375 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4042 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4500 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7500 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3167 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8750 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.7542 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3250 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 20 1 0 0 0^ 4 1 1 0 0 0^ 5 3 1 0 0 0^ 6 4 1 0 0 0^ 7 13 1 0 0 0^ 8 7 1 0 0 0^ 9 14 1 0 0 0^ 10 11 1 0 0 0^ 11 25 1 0 0 0^ 12 6 1 0 0 0^ 13 5 1 0 0 0^ 14 8 1 0 0 0^ 15 19 1 0 0 0^ 16 23 1 0 0 0^ 17 9 1 0 0 0^ 18 27 1 0 0 0^ 19 26 1 0 0 0^ 20 2 1 0 0 0^ 21 28 1 0 0 0^ 22 18 1 0 0 0^ 23 33 1 0 0 0^ 24 10 1 0 0 0^ 25 15 1 0 0 0^ 26 16 1 0 0 0^ 27 12 1 0 0 0^ 28 34 1 0 0 0^ 29 32 1 0 0 0^ 30 29 1 0 0 0^ 4 31 1 1 0 0^ 32 17 1 0 0 0^ 33 22 1 0 0 0^ 34 30 1 0 0 0^ 35 2 2 0 0 0^ 36 5 2 0 0 0^ 37 8 2 0 0 0^ 38 6 2 0 0 0^ 39 11 2 0 0 0^ 13 40 1 6 0 0^ 41 17 2 0 0 0^ 42 18 2 0 0 0^ 14 43 1 1 0 0^ 44 19 2 0 0 0^ 45 21 2 0 0 0^ 46 23 2 0 0 0^ 24 47 1 1 0 0^ 26 48 1 6 0 0^ 49 30 2 0 0 0^ 50 31 2 0 0 0^ 20 51 1 1 0 0^ 25 52 1 1 0 0^ 27 53 1 6 0 0^ 54 1 1 0 0 0^ 55 31 1 0 0 0^ 56 65 1 0 0 0^ 57 3 1 0 0 0^ 58 56 2 0 0 0^ 59 7 1 0 0 0^ 60 9 1 0 0 0^ 61 10 1 0 0 0^ 62 16 1 0 0 0^ 63 22 1 0 0 0^ 32 64 1 1 0 0^ 65 55 1 0 0 0^ 66 40 1 0 0 0^ 67 43 1 0 0 0^ 68 48 1 0 0 0^ 69 47 1 0 0 0^ 34 70 1 1 0 0^ 71 58 1 0 0 0^ 72 52 1 0 0 0^ 73 52 1 0 0 0^ 74 53 1 0 0 0^ 75 53 1 0 0 0^ 76 51 1 0 0 0^ 77 51 1 0 0 0^ 55 78 1 1 0 0^ 79 67 1 0 0 0^ 80 67 1 0 0 0^ 81 66 1 0 0 0^ 82 68 1 0 0 0^ 83 68 1 0 0 0^ 84 66 1 0 0 0^ 85 69 1 0 0 0^ 86 69 1 0 0 0^ 21 24 1 0 0 0^M END^^

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