Viewing Compound With Structures

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Compound Report Overview

Compound Name: ECHINOMYCIN
Compound Identifier: 702538
Mol Structure 2D: 702538
Molecular Weight: 1101
Formula: C51 H64 N12 O12 S2
Development Status: Preclinical
SMILES: CSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C2=O)NC(=O)c3cnc4ccccc4n3)NC(=O)c5cnc6ccccc6n5
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222562D 0 0.00000 0.00000 0^^ 77 82 0 1 0 999 V2000^ -0.4958 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1792 -1.0000 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.1625 -0.8167 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.8250 -0.8167 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.8292 0.8625 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.4917 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1667 0.8625 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.1833 1.0500 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.5167 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5125 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2042 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.2208 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.5500 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5583 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9417 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9458 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.2875 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.9000 -0.8375 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.9083 0.8583 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.6042 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6000 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1833 -0.9917 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.1667 1.0500 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.2500 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2375 -1.0125 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.5167 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5208 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 -0.9917 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.8708 1.0458 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.4542 0.1208 0.0000 S 0 0 0 0 0 0 0 0 0^ -0.1625 -0.3917 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.1667 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5250 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5208 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2792 -1.6167 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.2875 1.6458 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.4958 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.6458 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6375 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9417 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9000 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9083 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4917 1.4750 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5167 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5125 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.5500 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5583 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6042 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.6000 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6292 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8625 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8667 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.1792 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8250 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8375 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5000 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.1833 -1.3792 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.1667 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.1875 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8750 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9917 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0000 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9917 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0000 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4958 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8500 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4875 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8542 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4792 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3375 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 1 1 0 0 0^ 4 1 1 0 0 0^ 5 6 1 0 0 0^ 6 7 1 0 0 0^ 7 33 1 0 0 0^ 8 7 1 0 0 0^ 9 2 1 0 0 0^ 10 8 1 0 0 0^ 29 11 1 1 0 0^ 12 14 1 0 0 0^ 13 11 1 0 0 0^ 14 20 1 0 0 0^ 15 21 1 0 0 0^ 16 22 1 0 0 0^ 17 15 1 0 0 0^ 18 16 1 0 0 0^ 19 13 1 0 0 0^ 20 44 1 0 0 0^ 21 26 1 0 0 0^ 22 25 1 0 0 0^ 23 4 1 1 0 0^ 24 5 1 1 0 0^ 20 25 1 1 0 0^ 19 26 1 1 0 0^ 27 24 1 0 0 0^ 28 23 1 0 0 0^ 29 9 1 0 0 0^ 30 10 1 0 0 0^ 31 32 1 0 0 0^ 32 3 1 0 0 0^ 33 31 1 0 0 0^ 34 43 1 0 0 0^ 35 28 1 0 0 0^ 36 41 1 0 0 0^ 37 42 1 0 0 0^ 38 1 2 0 0 0^ 39 18 2 0 0 0^ 40 17 2 0 0 0^ 41 15 2 0 0 0^ 42 16 2 0 0 0^ 43 19 1 0 0 0^ 44 35 1 0 0 0^ 45 6 2 0 0 0^ 46 9 2 0 0 0^ 47 10 2 0 0 0^ 48 13 2 0 0 0^ 49 14 2 0 0 0^ 50 21 2 0 0 0^ 51 22 2 0 0 0^ 52 36 2 0 0 0^ 53 37 2 0 0 0^ 54 28 2 0 0 0^ 55 27 2 0 0 0^ 56 2 1 0 0 0^ 57 4 1 0 0 0^ 58 5 1 0 0 0^ 59 32 1 0 0 0^ 60 23 1 0 0 0^ 61 24 1 0 0 0^ 62 8 1 0 0 0^ 63 30 1 0 0 0^ 64 29 1 0 0 0^ 65 40 1 0 0 0^ 66 39 1 0 0 0^ 67 52 1 0 0 0^ 68 53 1 0 0 0^ 69 59 1 0 0 0^ 70 60 1 0 0 0^ 71 60 1 0 0 0^ 72 61 1 0 0 0^ 73 61 1 0 0 0^ 74 65 2 0 0 0^ 75 66 2 0 0 0^ 76 67 2 0 0 0^ 77 68 2 0 0 0^ 30 12 1 1 0 0^ 34 27 1 0 0 0^ 53 39 1 0 0 0^ 52 40 1 0 0 0^ 77 75 1 0 0 0^ 76 74 1 0 0 0^M END^^
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