General Information of the Compound
| Compound ID |
CP0500325
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| Compound Name |
2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine
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| Structure |
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| Formula |
C19H13F2N5S
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| Molecular Weight |
381.411
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| Canonical SMILES |
Fc1cccc(F)c1CSc1nnc(-c2cnccn2)n1-c1ccccc1
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| InChI |
InChI=1S/C19H13F2N5S/c20-15-7-4-8-16(21)14(15)12-27-19-25-24-18(17-11-22-9-10-23-17)26(19)13-5-2-1-3-6-13/h1-11H,12H2
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| InChIKey |
HXFJDILPHFWZKW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound