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PFD : Summary
Code
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PFD
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One-letter code
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X
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Molecule name
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5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
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Systematic names
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Formula
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C20 H19 F N2 O6
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Formal charge
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0
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Molecular weight
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402.373 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C3NC(=O)NC(=O)C3(Oc2ccc(Oc1ccc(F)cc1)cc2)CCOCC |
SMILES
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CACTVS |
3.341 |
CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F |
Canonical SMILES
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CACTVS |
3.341 |
CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F |
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IUPAC InChI | InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26) |
IUPAC InChI key | XRSYNYGEEYTXJV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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48 (29 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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2005-02-07
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Last modified at
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2011-06-04
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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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