General Information of the Compound
| Compound ID |
CP0443231
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| Compound Name |
5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-(oxolan-3-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H22Cl2N4O3
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| Molecular Weight |
461.349
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| Canonical SMILES |
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cccnc1)C1CCOC1
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| InChI |
InChI=1S/C22H22Cl2N4O3/c1-14-19(22(27(2)26-14)31-18-7-3-6-17(23)20(18)24)21(29)28(16-8-10-30-13-16)12-15-5-4-9-25-11-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3
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| InChIKey |
LSHNDUJGDHXRIW-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