General Information of the Compound
| Compound ID |
CP0567405
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| Compound Name |
1-[(3S)-3-benzoylpiperidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
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| Structure |
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
O=C(CCc1nc(no1)-c1ccco1)N1CCC[C@@H](C1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C21H21N3O4/c25-19(11-10-18-22-21(23-28-18)17-9-5-13-27-17)24-12-4-8-16(14-24)20(26)15-6-2-1-3-7-15/h1-3,5-7,9,13,16H,4,8,10-12,14H2/t16-/m0/s1
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| InChIKey |
XSZNTCNMCPXDTP-INIZCTEOSA-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