Viewing Compound With Structures

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Compound Report Overview

Compound Name: RIFAMETANE
Compound Identifier: 706974
Mol Structure 2D: 706974
Molecular Weight: 837
Formula: C44 H60 N4 O12
Development Status: Preclinical
SMILES: CCN(CC)C(=NN=Cc1c(O)c2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=CO4)C)C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223042D 0 0.00000 0.00000 0^^ 60 63 0 1 0 999 V2000^ -0.3750 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2375 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9083 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1625 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1625 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1208 -1.5167 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.2375 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8000 0.6500 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.3708 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.7000 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7000 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3750 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5000 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9083 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1708 1.7458 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.0417 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6333 2.0500 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.0958 2.9833 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.6333 2.6708 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.1708 1.1208 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.5625 2.6708 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.5792 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3875 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5208 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.4125 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4417 -1.5167 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.7542 -2.0667 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.2875 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1125 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7083 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6917 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7083 0.8083 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.0417 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7542 -2.5500 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.0833 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.5792 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3042 1.4333 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.0250 2.9833 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.5042 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2958 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.7000 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.7042 -1.4875 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.3750 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1708 2.9833 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5625 2.0500 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1208 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4500 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0958 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0958 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2458 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6333 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1167 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6792 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4875 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4292 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5375 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0250 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7042 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9625 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 7 1 0 0 0^ 3 1 2 0 0 0^ 4 5 2 0 0 0^ 5 1 1 0 0 0^ 6 13 1 0 0 0^ 7 11 2 0 0 0^ 8 2 1 0 0 0^ 9 3 1 0 0 0^ 10 4 1 0 0 0^ 11 5 1 0 0 0^ 12 4 1 0 0 0^ 13 1 1 0 0 0^ 14 3 1 0 0 0^ 15 20 1 0 0 0^ 16 8 1 0 0 0^ 17 15 1 0 0 0^ 18 19 1 0 0 0^ 19 17 1 0 0 0^ 20 32 1 0 0 0^ 21 18 1 0 0 0^ 22 16 1 0 0 0^ 23 6 1 0 0 0^ 15 24 1 1 0 0^ 25 27 2 0 0 0^ 26 31 2 0 0 0^ 27 26 1 0 0 0^ 28 23 1 0 0 0^ 29 24 1 0 0 0^ 30 28 2 0 0 0^ 31 7 1 0 0 0^ 32 30 1 0 0 0^ 33 36 1 0 0 0^ 34 25 1 0 0 0^ 35 13 2 0 0 0^ 36 22 2 0 0 0^ 37 16 2 0 0 0^ 38 39 1 0 0 0^ 39 33 2 0 0 0^ 40 29 2 0 0 0^ 41 10 1 0 0 0^ 42 11 1 0 0 0^ 43 12 1 0 0 0^ 19 44 1 6 0 0^ 21 45 1 6 0 0^ 6 46 1 6 0 0^ 47 14 1 0 0 0^ 17 48 1 1 0 0^ 18 49 1 6 0 0^ 32 50 1 6 0 0^ 20 51 1 6 0 0^ 52 22 1 0 0 0^ 53 25 1 0 0 0^ 54 34 1 0 0 0^ 55 34 1 0 0 0^ 56 29 1 0 0 0^ 38 57 1 1 0 0^ 58 50 1 0 0 0^ 59 55 1 0 0 0^ 60 54 1 0 0 0^ 12 14 2 0 0 0^ 6 9 1 0 0 0^ 2 10 2 0 0 0^ 21 38 1 0 0 0^M END^^
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