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FYE : Summary
Code
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FYE
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One-letter code
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X
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Molecule name
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6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide
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Systematic names
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Formula
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C17 H18 F N O4
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Formal charge
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0
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Molecular weight
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319.328 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O |
Canonical SMILES
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CACTVS |
3.385 |
OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O |
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IUPAC InChI | InChI=1S/C17H18FNO4/c18-11-4-5-14-12(8-11)13(20)9-15(23-14)16(21)19-10-17(22)6-2-1-3-7-17/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,21) |
IUPAC InChI key | PHMBHONIMDVOKO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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41 (23 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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2018-08-17
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Last modified at
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2019-03-29
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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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