General Information of the Compound
| Compound ID |
CP0487412
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| Compound Name |
4-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
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| Structure |
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| Formula |
C20H15FN4
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| Molecular Weight |
330.366
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| Canonical SMILES |
Cc1nnc(-c2ccc(cc2)-c2ccncc2)n1-c1ccccc1F
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| InChI |
InChI=1S/C20H15FN4/c1-14-23-24-20(25(14)19-5-3-2-4-18(19)21)17-8-6-15(7-9-17)16-10-12-22-13-11-16/h2-13H,1H3
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| InChIKey |
DMWCVPWIUOWQDR-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