General Information of the Compound
| Compound ID |
CP0322861
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| Compound Name |
1-(3-(5-tert-Butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-4-yl)ethanol
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| Structure |
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| Formula |
C23H21Cl3N4O2
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| Molecular Weight |
491.806
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| Canonical SMILES |
CC(O)c1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C
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| InChI |
InChI=1S/C23H21Cl3N4O2/c1-12(31)18-19(21-27-28-22(32-21)23(2,3)4)29-30(17-10-9-15(25)11-16(17)26)20(18)13-5-7-14(24)8-6-13/h5-12,31H,1-4H3
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| InChIKey |
BMFBEZBHZNKOEF-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