General Information of the Compound
| Compound ID |
CP0073238
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| Compound Name |
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-N-piperidin-1-yl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H19Cl2IN4O
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| Molecular Weight |
541.22
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| Canonical SMILES |
Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NN2CCCCC2)c1-c1ccc(I)cc1
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| InChI |
InChI=1S/C21H19Cl2IN4O/c22-15-6-9-19(18(23)12-15)28-20(14-4-7-16(24)8-5-14)17(13-25-28)21(29)26-27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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| InChIKey |
LRGZDKUUAOSQQN-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