General Information of the Compound
| Compound ID |
CP0523470
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| Compound Name |
2-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine
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| Structure |
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| Formula |
C19H14FN5S
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| Molecular Weight |
363.421
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| Canonical SMILES |
Fc1ccccc1CSc1nnc(-c2cnccn2)n1-c1ccccc1
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| InChI |
InChI=1S/C19H14FN5S/c20-16-9-5-4-6-14(16)13-26-19-24-23-18(17-12-21-10-11-22-17)25(19)15-7-2-1-3-8-15/h1-12H,13H2
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| InChIKey |
WGMDMBCIWNSPSW-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