Viewing Compound With Structures

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Compound Report Overview

Compound Name: SULBUTIAMINE
Compound Identifier: 701442
Mol Structure 2D: 701442
Molecular Weight: 703
Formula: C32 H46 N8 O6 S2
Development Status: Preclinical
SMILES: CC(C)C(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SSC(=C(C)N(Cc2cnc(C)nc2N)C=O)CCOC(=O)C(C)C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222332D 0 0.00000 0.00000 0^^ 48 49 0 0 0 999 V2000^ -3.8083 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.7417 -1.3375 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.6375 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6958 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1917 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2583 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6083 -1.3542 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.5167 -1.3042 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.6000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5042 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0417 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1625 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4000 -0.6292 0.0000 S 0 0 0 0 0 0 0 0 0^ -0.3208 -0.6375 0.0000 S 0 0 0 0 0 0 0 0 0^ -3.2458 -0.3625 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.1917 -0.3625 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.8000 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7417 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1833 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9417 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9125 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0625 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6375 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6958 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3167 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.6833 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.9125 -2.3042 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0750 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2583 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.1917 -2.3250 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.9542 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0583 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9292 2.1833 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.1833 2.1208 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.6333 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.5000 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6333 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5042 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0792 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1375 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5250 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3875 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7000 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5458 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 3 13 1 0 0 0^ 4 6 1 0 0 0^ 5 3 2 0 0 0^ 6 1 2 0 0 0^ 7 14 1 0 0 0^ 8 10 1 0 0 0^ 9 7 1 0 0 0^ 10 12 2 0 0 0^ 11 9 2 0 0 0^ 12 15 1 0 0 0^ 13 8 1 0 0 0^ 14 4 1 0 0 0^ 15 16 1 0 0 0^ 16 11 1 0 0 0^ 17 19 2 0 0 0^ 18 25 2 0 0 0^ 19 1 1 0 0 0^ 20 18 1 0 0 0^ 21 37 1 0 0 0^ 22 38 1 0 0 0^ 23 8 1 0 0 0^ 24 7 1 0 0 0^ 25 3 1 0 0 0^ 26 17 1 0 0 0^ 27 22 2 0 0 0^ 28 21 2 0 0 0^ 29 23 2 0 0 0^ 30 24 2 0 0 0^ 31 6 1 0 0 0^ 32 5 1 0 0 0^ 33 12 1 0 0 0^ 34 11 1 0 0 0^ 35 22 1 0 0 0^ 36 21 1 0 0 0^ 37 39 1 0 0 0^ 38 40 1 0 0 0^ 39 34 1 0 0 0^ 40 33 1 0 0 0^ 41 10 1 0 0 0^ 42 9 1 0 0 0^ 43 19 1 0 0 0^ 44 20 1 0 0 0^ 45 35 1 0 0 0^ 46 35 1 0 0 0^ 47 36 1 0 0 0^ 48 36 1 0 0 0^ 26 4 2 0 0 0^ 20 2 2 0 0 0^M END^^
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