Viewing Compound With Structures

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Compound Report Overview

Compound Name: CRYPTOPHYCIN 52
Compound Identifier: 704190
Mol Structure 2D: 704190
Molecular Weight: 669
Formula: C36 H45 Cl N2 O8
Development Status: Clinical, Phase I
SMILES: COc1ccc(CC2NC(=O)C=CCC(OC(=O)C(CC(C)C)OC(=O)C(C)(C)CNC2=O)C(C)C3OC3c4ccccc4)cc1Cl
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223272D 0 0.00000 0.00000 0^^ 47 50 0 1 0 999 V2000^ -2.4833 1.0833 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.1708 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.1708 1.4833 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.4583 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7625 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1000 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1083 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.2042 -1.2042 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.7958 1.4833 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.5417 0.3125 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.1917 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7625 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.5167 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2042 -0.0792 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.1083 1.0833 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.5417 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9417 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8583 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8917 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4583 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.4500 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8792 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9417 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2625 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8750 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.2167 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5792 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4583 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2375 1.4750 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2417 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6375 0.2875 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 3.5667 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4458 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8167 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6167 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7958 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1458 -0.8292 0.0000 C 0 0 3 0 0 0 0 0 0^ -4.5458 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8458 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.3125 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1458 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8250 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.5333 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.2250 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.2208 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1 2 1 1 0 0^ 3 1 1 0 0 0^ 4 6 1 0 0 0^ 5 7 1 0 0 0^ 6 12 1 0 0 0^ 15 7 1 6 0 0^ 8 4 1 0 0 0^ 9 1 1 0 0 0^ 10 16 1 0 0 0^ 11 14 1 0 0 0^ 12 5 1 0 0 0^ 13 11 1 0 0 0^ 14 10 1 0 0 0^ 15 9 1 0 0 0^ 16 23 1 0 0 0^ 17 8 1 0 0 0^ 18 25 2 0 0 0^ 19 3 1 0 0 0^ 14 20 1 6 0 0^ 21 4 2 0 0 0^ 22 5 2 0 0 0^ 23 27 2 0 0 0^ 24 31 2 0 0 0^ 25 28 1 0 0 0^ 26 11 2 0 0 0^ 27 34 1 0 0 0^ 28 20 1 0 0 0^ 12 29 1 1 0 0^ 30 16 2 0 0 0^ 31 33 1 0 0 0^ 32 18 1 0 0 0^ 33 28 2 0 0 0^ 34 15 1 0 0 0^ 35 8 1 0 0 0^ 36 8 1 0 0 0^ 37 24 1 0 0 0^ 9 38 1 1 0 0^ 39 29 1 0 0 0^ 40 19 2 0 0 0^ 41 19 1 0 0 0^ 42 37 1 0 0 0^ 43 39 1 0 0 0^ 44 39 1 0 0 0^ 45 41 2 0 0 0^ 46 40 1 0 0 0^ 47 45 1 0 0 0^ 3 2 1 1 0 0^ 47 46 2 0 0 0^ 13 17 1 0 0 0^ 24 18 1 0 0 0^M END^^
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