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EFZ : Summary
Code
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EFZ
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One-letter code
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X
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Molecule name
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(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE
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Synonyms
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DMP-266
Efavirenz
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Systematic names
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Formula
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C14 H9 Cl F3 N O2
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Formal charge
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0
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Molecular weight
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315.675 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
FC(F)(F)C3(C#CC1CC1)OC(=O)Nc2c3cc(Cl)cc2 |
SMILES
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CACTVS |
3.370 |
FC(F)(F)[C]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cc2c(cc1Cl)C(OC(=O)N2)(C#CC3CC3)C(F)(F)F |
Canonical SMILES
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CACTVS |
3.370 |
FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F |
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IUPAC InChI | InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 |
IUPAC InChI key | XPOQHMRABVBWPR-ZDUSSCGKSA-N |
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wwPDB Information |
Atom count
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30 (21 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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2000-08-15
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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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