General Information of the Compound
| Compound ID |
CP0435840
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| Compound Name |
4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine
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| Structure |
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| Formula |
C21H21Cl2N3O2
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| Molecular Weight |
418.324
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| Canonical SMILES |
Clc1ccc(cc1Cl)-n1nc(OCCN2CCOCC2)cc1-c1ccccc1
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| InChI |
InChI=1S/C21H21Cl2N3O2/c22-18-7-6-17(14-19(18)23)26-20(16-4-2-1-3-5-16)15-21(24-26)28-13-10-25-8-11-27-12-9-25/h1-7,14-15H,8-13H2
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| InChIKey |
UFMLSFNIQLSGBU-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