General Information of the Compound
| Compound ID |
CP0512692
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| Compound Name |
2-[4-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
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| Structure |
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| Formula |
C20H23N5
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| Molecular Weight |
333.439
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| Canonical SMILES |
Cc1nnc(C2CCN(CC2)c2ccccn2)n1-c1ccccc1C
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| InChI |
InChI=1S/C20H23N5/c1-15-7-3-4-8-18(15)25-16(2)22-23-20(25)17-10-13-24(14-11-17)19-9-5-6-12-21-19/h3-9,12,17H,10-11,13-14H2,1-2H3
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| InChIKey |
WKPUTGWASCNKOY-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