General Information of the Compound
| Compound ID |
CP0392074
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| Compound Name |
2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxy-N,N-diethylethanamine
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| Structure |
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| Formula |
C16H21Cl2N3O
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| Molecular Weight |
342.27
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| Canonical SMILES |
CCN(CC)CCOc1cc(C)n(n1)-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C16H21Cl2N3O/c1-4-20(5-2)8-9-22-16-10-12(3)21(19-16)13-6-7-14(17)15(18)11-13/h6-7,10-11H,4-5,8-9H2,1-3H3
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| InChIKey |
IZCFYFTZCBGMLV-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