General Information of the Compound
| Compound ID |
CP0451967
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| Compound Name |
2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
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| Structure |
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| Formula |
C20H23N5O
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| Molecular Weight |
349.438
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| Canonical SMILES |
COc1ccc(cc1)-n1c(C)nnc1C1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C20H23N5O/c1-15-22-23-20(25(15)17-6-8-18(26-2)9-7-17)16-10-13-24(14-11-16)19-5-3-4-12-21-19/h3-9,12,16H,10-11,13-14H2,1-2H3
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| InChIKey |
KAEOYJPYGWYJDV-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