General Information of the Compound
| Compound ID |
CP0494202
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| Compound Name |
2-[4-[5-methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
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| Structure |
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| Formula |
C21H25N5
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| Molecular Weight |
347.466
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| Canonical SMILES |
Cc1nnc(C2CCN(CC2)c2ccccn2)n1Cc1cccc(C)c1
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| InChI |
InChI=1S/C21H25N5/c1-16-6-5-7-18(14-16)15-26-17(2)23-24-21(26)19-9-12-25(13-10-19)20-8-3-4-11-22-20/h3-8,11,14,19H,9-10,12-13,15H2,1-2H3
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| InChIKey |
CAWWYHJBQQRDKJ-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