General Information of the Compound
| Compound ID |
CP0058745
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| Compound Name |
N-[(1R)-1-[3-[(2S)-4-(4-ethoxy-2-methylphenyl)-2-methylpiperazin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
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| Structure |
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| Formula |
C20H29N5O3
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| Molecular Weight |
387.484
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| Canonical SMILES |
CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@@H](C)NC(C)=O)c(C)c1
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| InChI |
InChI=1S/C20H29N5O3/c1-6-27-17-7-8-18(13(2)11-17)24-9-10-25(14(3)12-24)20-22-19(28-23-20)15(4)21-16(5)26/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,21,26)/t14-,15+/m0/s1
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| InChIKey |
HRSAPEKZOYYIGR-LSDHHAIUSA-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