Viewing Compound With Structures

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Compound Report Overview

Compound Name: BOUVARDIN
Compound Identifier: 705701
Mol Structure 2D: 705701
Molecular Weight: 773
Formula: C40 H48 N6 O10
Development Status: Preclinical
SMILES: COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(O)c(Oc5ccc(cc5)C(O)C(N(C)C(=O)C(C)NC2=O)C(=O)N3C)c4)cc1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223002D 0 0.00000 0.00000 0^^ 58 62 0 1 0 999 V2000^ -0.6458 -0.2292 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.1000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2000 0.0333 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.5500 -0.2292 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.1625 1.7000 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.2542 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7167 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8167 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0000 0.0333 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6125 1.4458 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.1625 -0.2292 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.5500 1.7000 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.2000 1.4458 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.6458 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6458 -1.2417 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.7167 0.0333 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.2542 1.7000 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.8208 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3375 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1000 1.4458 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.1000 0.5458 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4625 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.7167 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0917 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4625 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3792 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.8208 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3625 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6458 2.2250 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.9083 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0000 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5500 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1000 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3625 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2000 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5500 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1625 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5375 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0833 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.9083 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5500 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2708 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5375 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9792 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4417 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9792 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8917 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.7167 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1000 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1458 -0.4917 0.0000 H 0 0 0 0 0 0 0 0 0^ -2.4625 0.2708 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 11 1 0 0 0^ 6 3 1 0 0 0^ 7 5 1 0 0 0^ 8 10 1 0 0 0^ 9 12 1 0 0 0^ 10 4 1 0 0 0^ 11 9 1 0 0 0^ 12 17 1 0 0 0^ 13 8 1 0 0 0^ 14 15 1 0 0 0^ 15 21 1 0 0 0^ 16 1 1 0 0 0^ 17 6 1 0 0 0^ 18 7 1 0 0 0^ 19 20 1 0 0 0^ 20 34 1 0 0 0^ 21 13 1 0 0 0^ 22 2 2 0 0 0^ 23 16 1 0 0 0^ 24 10 1 0 0 0^ 25 6 2 0 0 0^ 26 7 2 0 0 0^ 11 27 1 1 0 0^ 28 8 2 0 0 0^ 29 9 2 0 0 0^ 30 19 1 0 0 0^ 31 33 1 0 0 0^ 32 15 2 0 0 0^ 33 24 1 0 0 0^ 34 46 1 0 0 0^ 35 23 2 0 0 0^ 36 23 1 0 0 0^ 37 43 1 0 0 0^ 38 3 1 0 0 0^ 39 4 1 0 0 0^ 40 5 1 0 0 0^ 41 27 1 0 0 0^ 16 42 1 1 0 0^ 43 33 2 0 0 0^ 44 50 1 0 0 0^ 45 35 1 0 0 0^ 46 36 2 0 0 0^ 47 30 1 0 0 0^ 48 41 2 0 0 0^ 49 41 1 0 0 0^ 50 49 2 0 0 0^ 51 48 1 0 0 0^ 52 44 1 0 0 0^ 17 53 1 6 0 0^ 18 54 1 1 0 0^ 21 55 1 1 0 0^ 56 52 1 0 0 0^ 1 57 1 6 0 0^ 10 58 1 6 0 0^ 34 45 2 0 0 0^ 19 31 2 0 0 0^ 30 37 2 0 0 0^ 18 14 1 0 0 0^ 44 51 2 0 0 0^M END^^
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