General Information of the Compound
| Compound ID |
CP0129718
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| Compound Name |
3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]-4-methyl-4H-[1,2,4]triazole
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| Structure |
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| Formula |
C25H22ClN3
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| Molecular Weight |
399.925
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C25H22ClN3/c1-29-23(20-10-8-19(9-11-20)18-6-3-2-4-7-18)27-28-24(29)25(16-5-17-25)21-12-14-22(26)15-13-21/h2-4,6-15H,5,16-17H2,1H3
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| InChIKey |
UXOKGMBZBAXMDM-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