General Information of the Compound
| Compound ID |
CP0499254
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| Compound Name |
4-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
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| Structure |
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| Formula |
C24H30N6O
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| Molecular Weight |
418.545
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| Canonical SMILES |
C(N1CCOCC1)c1nnc(C2CCN(CC2)c2ccccn2)n1Cc1ccccc1
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| InChI |
InChI=1S/C24H30N6O/c1-2-6-20(7-3-1)18-30-23(19-28-14-16-31-17-15-28)26-27-24(30)21-9-12-29(13-10-21)22-8-4-5-11-25-22/h1-8,11,21H,9-10,12-19H2
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| InChIKey |
UPEQTJKNKUIPFX-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