General Information of the Compound
| Compound ID |
CP0257078
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| Compound Name |
2-(4-((1H-Imidazol-1-yl)methyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-oxadiazole
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| Structure |
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| Formula |
C25H21Cl3N6O
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| Molecular Weight |
527.843
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| Canonical SMILES |
CC(C)(C)c1nnc(o1)-c1nn(c(c1Cn1ccnc1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H21Cl3N6O/c1-25(2,3)24-31-30-23(35-24)21-18(13-33-11-10-29-14-33)22(15-4-6-16(26)7-5-15)34(32-21)20-9-8-17(27)12-19(20)28/h4-12,14H,13H2,1-3H3
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| InChIKey |
KMYHOEUYBAMJFU-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