General Information of the Compound
| Compound ID |
CP0435848
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| Compound Name |
ethyl 4-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C19H24Cl2N4O3
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| Molecular Weight |
427.332
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| Canonical SMILES |
CCOC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C19H24Cl2N4O3/c1-3-27-19(26)24-8-6-23(7-9-24)10-11-28-18-12-14(2)25(22-18)15-4-5-16(20)17(21)13-15/h4-5,12-13H,3,6-11H2,1-2H3
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| InChIKey |
QIDBLHIQPFHHSN-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1