General Information of the Compound
| Compound ID |
CP0219933
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| Compound Name |
2-tert-Butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-vinyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C23H19Cl3N4O
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| Molecular Weight |
473.791
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| Canonical SMILES |
CC(C)(C)c1nnc(o1)-c1nn(c(c1C=C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H19Cl3N4O/c1-5-16-19(21-27-28-22(31-21)23(2,3)4)29-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h5-12H,1H2,2-4H3
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| InChIKey |
KLNQKGLEGKIFKO-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