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1LD : Summary
Code
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1LD
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One-letter code
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X
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Molecule name
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5-fluorocytosine
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Synonyms
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4-amino-5-fluoropyrimidin-2(1H)-one
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Systematic names
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Formula
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C4 H4 F N3 O
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Formal charge
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0
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Molecular weight
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129.092 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
FC1=CNC(=O)N=C1N |
SMILES
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CACTVS |
3.370 |
NC1=NC(=O)NC=C1F |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C1=C(C(=NC(=O)N1)N)F |
Canonical SMILES
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CACTVS |
3.370 |
NC1=NC(=O)NC=C1F |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C1=C(C(=NC(=O)N1)N)F |
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IUPAC InChI | InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9) |
IUPAC InChI key | XRECTZIEBJDKEO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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13 (9 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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2013-03-18
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Last modified at
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2021-03-01
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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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