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EYF : Summary
Code
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EYF
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One-letter code
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X
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Molecule name
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1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide
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Systematic names
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Formula
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C16 H15 N3 O3
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Formal charge
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0
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Molecular weight
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297.309 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1cccc(Cn2ccc3cc(cnc23)C(=O)NO)c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO |
Canonical SMILES
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CACTVS |
3.385 |
COc1cccc(Cn2ccc3cc(cnc23)C(=O)NO)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO |
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IUPAC InChI | InChI=1S/C16H15N3O3/c1-22-14-4-2-3-11(7-14)10-19-6-5-12-8-13(16(20)18-21)9-17-15(12)19/h2-9,21H,10H2,1H3,(H,18,20) |
IUPAC InChI key | CUMWZHBISABRRE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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37 (22 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2020-02-19
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Last modified at
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2021-02-19
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Status
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Released
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Obsoleted
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Not Assigned
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