General Information of the Compound
| Compound ID |
CP0506456
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| Compound Name |
5-(4-bromophenyl)-3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-(2,4-dichlorophenyl)-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C27H21BrCl2N6O2
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| Molecular Weight |
612.315
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| Canonical SMILES |
CC(C)(C)c1nnc(o1)-c1nn(c(c1C(=O)Nc1ccccn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H21BrCl2N6O2/c1-27(2,3)26-34-33-25(38-26)22-21(24(37)32-20-6-4-5-13-31-20)23(15-7-9-16(28)10-8-15)36(35-22)19-12-11-17(29)14-18(19)30/h4-14H,1-3H3,(H,31,32,37)
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| InChIKey |
CBJWORQSUZDXBF-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