General Information of the Compound
| Compound ID |
CP0489095
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| Compound Name |
ethyl 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C16H19ClN4O3
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| Molecular Weight |
350.806
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| Canonical SMILES |
CCOC(=O)N1CCN(Cc2nnc(o2)-c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C16H19ClN4O3/c1-2-23-16(22)21-8-6-20(7-9-21)11-14-18-19-15(24-14)12-4-3-5-13(17)10-12/h3-5,10H,2,6-9,11H2,1H3
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| InChIKey |
PXVXEGDGVZWKNH-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