General Information of the Compound
| Compound ID |
CP0481373
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| Compound Name |
1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyrazole
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| Structure |
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| Formula |
C15H17Cl2N3O
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| Molecular Weight |
326.227
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| Canonical SMILES |
Clc1ccc(cc1Cl)-n1ccc(OCCN2CCCC2)n1
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| InChI |
InChI=1S/C15H17Cl2N3O/c16-13-4-3-12(11-14(13)17)20-8-5-15(18-20)21-10-9-19-6-1-2-7-19/h3-5,8,11H,1-2,6-7,9-10H2
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| InChIKey |
WZWRZEMDVNTYDE-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