The Biofilms Structural Database
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The Biofilms Structural Database |
Compound 40 |
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|---|---|
6TPR |
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Code
NV5 | |
|
Name |
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide |
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Molecular Weight |
442.49 |
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Isomeric SMILES |
Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5 |
|
Formula |
C23H18N6O2S |
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Identifiers |
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C23H18N6O2S/c1-29-18-7-3-2-6-17(18)21-22(29)26-23(28-27-21)32-14-19(30)25-15-9-11-16(12-10-15)31-20-8-4-5-13-24-20/h2-13H,14H2,1H3,(H,25,30) |
|
Atom Count |
50 |
|
InChIKey |
ZQQZWZKGMACADA-UHFFFAOYSA-N |
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PDB codes |
6TPR |
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Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
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Bond Count |
54 |
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Aromatic Bond Count |
27 |
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Leaving Atoms |
n/a |