General Information of the Compound
| Compound ID |
CP0310177
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| Compound Name |
2-(3-(5-tert-Butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-4-yl)acetonitrile
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| Structure |
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| Formula |
C23H18Cl3N5O
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| Molecular Weight |
486.79
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| Canonical SMILES |
CC(C)(C)c1nnc(o1)-c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H18Cl3N5O/c1-23(2,3)22-29-28-21(32-22)19-16(10-11-27)20(13-4-6-14(24)7-5-13)31(30-19)18-9-8-15(25)12-17(18)26/h4-9,12H,10H2,1-3H3
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| InChIKey |
VIYOOPQBSQTYFU-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