General Information of the Compound
| Compound ID |
CP0567366
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| Compound Name |
2-methyl-5-[1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C23H34N4O2
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| Molecular Weight |
398.551
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| Canonical SMILES |
Cc1nnc(o1)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C23H34N4O2/c1-19-24-25-23(29-19)21-10-15-27(16-11-21)18-20-6-8-22(9-7-20)28-17-5-14-26-12-3-2-4-13-26/h6-9,21H,2-5,10-18H2,1H3
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| InChIKey |
ZUBVQPGSFOUVQK-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