General Information of the Compound
| Compound ID |
CP0566709
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| Compound Name |
4-[3-methyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-4-yl]benzonitrile
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| Structure |
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| Formula |
C20H20N6
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| Molecular Weight |
344.422
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| Canonical SMILES |
Cc1nnc(C2CCN(CC2)c2ccccn2)n1-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H20N6/c1-15-23-24-20(26(15)18-7-5-16(14-21)6-8-18)17-9-12-25(13-10-17)19-4-2-3-11-22-19/h2-8,11,17H,9-10,12-13H2,1H3
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| InChIKey |
FUFDDQTYCBJHQU-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