General Information of the Compound
| Compound ID |
CP0123541
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| Compound Name |
3-[(2S)-4-(4-ethoxy-2-methylphenyl)-2-methylpiperazin-1-yl]-5-ethyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C18H26N4O2
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| Molecular Weight |
330.432
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| Canonical SMILES |
CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1
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| InChI |
InChI=1S/C18H26N4O2/c1-5-17-19-18(20-24-17)22-10-9-21(12-14(22)4)16-8-7-15(23-6-2)11-13(16)3/h7-8,11,14H,5-6,9-10,12H2,1-4H3/t14-/m0/s1
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| InChIKey |
IDCAZOYSDXUCSQ-AWEZNQCLSA-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