General Information of the Compound
| Compound ID |
CP0164003
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| Compound Name |
4-Cyclopentyl-3-methyl-2-(4-phenyl-piperidine-1-carbonyl)-2H-isoxazol-5-one
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| Structure |
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| Formula |
C21H26N2O3
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| Molecular Weight |
354.45
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| Canonical SMILES |
Cc1c(C2CCCC2)c(=O)on1C(=O)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H26N2O3/c1-15-19(18-9-5-6-10-18)20(24)26-23(15)21(25)22-13-11-17(12-14-22)16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-14H2,1H3
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| InChIKey |
WFZLBKRYYUBLJA-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