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RBV : Summary
Code
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RBV
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One-letter code
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X
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Molecule name
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1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
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Synonyms
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Ribavirin
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Systematic names
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Formula
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C8 H12 N4 O5
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Formal charge
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0
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Molecular weight
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244.205 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N |
SMILES
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CACTVS |
3.370 |
NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O |
SMILES
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OpenEye OEToolkits |
1.7.2 |
c1nc(nn1C2C(C(C(O2)CO)O)O)C(=O)N |
Canonical SMILES
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CACTVS |
3.370 |
NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N |
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IUPAC InChI | InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 |
IUPAC InChI key | IWUCXVSUMQZMFG-AFCXAGJDSA-N |
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wwPDB Information |
Atom count
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29 (17 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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HETAD
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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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2011-06-25
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Last modified at
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2020-06-17
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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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