General Information of the Compound
| Compound ID |
CP0529498
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| Compound Name |
4-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-ol
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| Structure |
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| Formula |
C21H25N3O2
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| Molecular Weight |
351.45
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| Canonical SMILES |
OCCCCN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C21H25N3O2/c25-14-4-3-11-24-12-9-17(10-13-24)21-22-20(23-26-21)19-8-7-16-5-1-2-6-18(16)15-19/h1-2,5-8,15,17,25H,3-4,9-14H2
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| InChIKey |
NNTSGVWDVGTNCJ-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