General Information of the Compound
| Compound ID |
CP0373882
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| Compound Name |
5-(4-chlorophenyl)-3-(1-cyclobutyl-1H-imidazol-4-yl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole
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| Structure |
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| Formula |
C23H19Cl3N4
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| Molecular Weight |
457.792
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C1CCC1
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| InChI |
InChI=1S/C23H19Cl3N4/c1-14-22(20-12-29(13-27-20)18-3-2-4-18)28-30(21-10-9-17(25)11-19(21)26)23(14)15-5-7-16(24)8-6-15/h5-13,18H,2-4H2,1H3
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| InChIKey |
MLCNCVBBXLTIHF-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