Viewing Compound With Structures

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Compound Report Overview

Compound Name: BENDACALOL
Compound Identifier: 702350
Mol Structure 2D: 702350
Molecular Weight: 373
Formula: C20 H23 N O6
Development Status: Preclinical
SMILES: OC(CNCC(O)C1COc2ccccc2O1)C3COc4ccccc4O3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222522D 0 0.00000 0.00000 0^^ 31 34 0 0 0 999 V2000^ -2.5583 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.4917 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8750 -0.0167 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.9708 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.5583 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.4917 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1583 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1042 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8750 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9708 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2708 -0.3375 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.1792 -0.3375 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.0333 -0.4042 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.5792 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8958 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.6500 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6042 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7250 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7500 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7250 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3000 0.5125 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.7458 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.7750 -0.9375 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.2792 0.5333 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 14 1 0 0 0^ 4 1 1 0 0 0^ 5 9 1 0 0 0^ 6 11 1 0 0 0^ 7 2 1 0 0 0^ 8 1 1 0 0 0^ 9 8 2 0 0 0^ 10 6 1 0 0 0^ 11 3 1 0 0 0^ 12 4 1 0 0 0^ 13 4 1 0 0 0^ 14 19 1 0 0 0^ 15 18 1 0 0 0^ 14 16 1 1 0 0^ 13 17 1 1 0 0^ 18 13 1 0 0 0^ 19 15 1 0 0 0^ 20 8 1 0 0 0^ 21 7 1 0 0 0^ 22 9 1 0 0 0^ 23 10 1 0 0 0^ 24 20 2 0 0 0^ 25 21 2 0 0 0^ 26 24 1 0 0 0^ 27 23 2 0 0 0^ 4 28 1 6 0 0^ 13 29 1 6 0 0^ 14 30 1 6 0 0^ 3 31 1 6 0 0^ 5 12 1 0 0 0^ 26 22 2 0 0 0^ 10 7 2 0 0 0^ 27 25 1 0 0 0^M END^^
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