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TPF : Summary
Code
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TPF
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One-letter code
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X
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Molecule name
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2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
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Synonyms
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FLUCONAZOLE
ALPHA-(2,4-DIFLUOROPHENYL)-ALPHA-(1H-1,2,4-TRIAZOLE-1-YLMETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL
ELAZOR
TRIFLUCAN
BIOZOLENE
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Systematic names
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Formula
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C13 H12 F2 N6 O
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Formal charge
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0
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Molecular weight
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306.271 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Fc1ccc(c(F)c1)C(O)(Cn2ncnc2)Cn3ncnc3 |
SMILES
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CACTVS |
3.341 |
OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O |
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IUPAC InChI | InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 |
IUPAC InChI key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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34 (22 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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2000-11-03
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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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