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WNS : Summary
Code
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WNS
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One-letter code
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X
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Molecule name
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N-(2-chloropyridin-3-yl)butanamide
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Systematic names
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Formula
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C9 H11 Cl N2 O
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Formal charge
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0
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Molecular weight
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198.649 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1ccc(NC(CCC)=O)c(n1)Cl |
SMILES
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CACTVS |
3.385 |
CCCC(=O)Nc1cccnc1Cl |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCC(=O)Nc1cccnc1Cl |
Canonical SMILES
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CACTVS |
3.385 |
CCCC(=O)Nc1cccnc1Cl |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCC(=O)Nc1cccnc1Cl |
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IUPAC InChI | InChI=1S/C9H11ClN2O/c1-2-4-8(13)12-7-5-3-6-11-9(7)10/h3,5-6H,2,4H2,1H3,(H,12,13) |
IUPAC InChI key | UYVCKWSCSBBXER-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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24 (13 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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2020-10-30
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Last modified at
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2020-11-06
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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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