General Information of the Compound
| Compound ID |
CP0526175
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| Compound Name |
5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-N-phenyl-3-(5-(1-(trifluoromethyl)cyclopropyl)-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H17BrCl2F3N5O2
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| Molecular Weight |
663.281
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| Canonical SMILES |
FC(F)(F)C1(CC1)c1nnc(o1)-c1nn(c(c1C(=O)Nc1ccccc1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C28H17BrCl2F3N5O2/c29-16-8-6-15(7-9-16)23-21(24(40)35-18-4-2-1-3-5-18)22(38-39(23)20-11-10-17(30)14-19(20)31)25-36-37-26(41-25)27(12-13-27)28(32,33)34/h1-11,14H,12-13H2,(H,35,40)
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| InChIKey |
VRSCBRXOYCDODK-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