General Information of the Compound
| Compound ID |
CP0451968
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| Compound Name |
2-[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
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| Structure |
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| Formula |
C19H21N5
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| Molecular Weight |
319.412
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| Canonical SMILES |
Cc1nnc(C2CCN(CC2)c2ccccn2)n1-c1ccccc1
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| InChI |
InChI=1S/C19H21N5/c1-15-21-22-19(24(15)17-7-3-2-4-8-17)16-10-13-23(14-11-16)18-9-5-6-12-20-18/h2-9,12,16H,10-11,13-14H2,1H3
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| InChIKey |
HVGGDNWEFQHDDM-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