General Information of the Compound
| Compound ID |
CP0123672
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| Compound Name |
(3-(5-tert-Butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-4-yl)methanol
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| Structure |
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| Formula |
C22H19Cl3N4O2
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| Molecular Weight |
477.779
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| Canonical SMILES |
CC(C)(C)c1nnc(o1)-c1nn(c(c1CO)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H19Cl3N4O2/c1-22(2,3)21-27-26-20(31-21)18-15(11-30)19(12-4-6-13(23)7-5-12)29(28-18)17-9-8-14(24)10-16(17)25/h4-10,30H,11H2,1-3H3
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| InChIKey |
DIMKYPXYSFBFGN-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