General Information of the Compound
| Compound ID |
CP0209057
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| Compound Name |
N-[2-[3-[(2S)-4-(4-ethoxy-2-methylphenyl)-2-methylpiperazin-1-yl]-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide
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| Structure |
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| Formula |
C21H31N5O3
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| Molecular Weight |
401.511
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| Canonical SMILES |
CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(C)NC(C)=O)c(C)c1
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| InChI |
InChI=1S/C21H31N5O3/c1-7-28-17-8-9-18(14(2)12-17)25-10-11-26(15(3)13-25)20-22-19(29-24-20)21(5,6)23-16(4)27/h8-9,12,15H,7,10-11,13H2,1-6H3,(H,23,27)/t15-/m0/s1
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| InChIKey |
BQERIMYONAXXOG-HNNXBMFYSA-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