General Information of the Compound
| Compound ID |
CP0257079
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| Compound Name |
2-tert-Butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(phenoxymethyl)-1H-pyrazol-3-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C28H23Cl3N4O2
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| Molecular Weight |
553.877
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| Canonical SMILES |
CC(C)(C)c1nnc(o1)-c1nn(c(c1COc1ccccc1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C28H23Cl3N4O2/c1-28(2,3)27-33-32-26(37-27)24-21(16-36-20-7-5-4-6-8-20)25(17-9-11-18(29)12-10-17)35(34-24)23-14-13-19(30)15-22(23)31/h4-15H,16H2,1-3H3
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| InChIKey |
JJWYUHQRMNHZAI-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