General Information of the Compound
| Compound ID |
CP0538670
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| Compound Name |
3-[(2S)-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-ol
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| Structure |
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| Formula |
C20H23N3O2
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| Molecular Weight |
337.423
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| Canonical SMILES |
OCCCN1CCCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C20H23N3O2/c24-13-5-12-23-11-4-3-8-18(23)20-21-19(22-25-20)17-10-9-15-6-1-2-7-16(15)14-17/h1-2,6-7,9-10,14,18,24H,3-5,8,11-13H2/t18-/m0/s1
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| InChIKey |
GDZSDWIMYIJLKI-SFHVURJKSA-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