General Information of the Compound
| Compound ID |
CP0561676
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| Compound Name |
(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
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| Structure |
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| Formula |
C19H20N4O2
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| Molecular Weight |
336.395
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| Canonical SMILES |
O=C(N1CCC(Cc2ccccc2)CC1)c1cc(on1)-c1cn[nH]c1
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| InChI |
InChI=1S/C19H20N4O2/c24-19(17-11-18(25-22-17)16-12-20-21-13-16)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,20,21)
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| InChIKey |
UGNMDLUMXSLIEP-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