General Information of the Compound
| Compound ID |
CP0293931
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| Compound Name |
methyl N-[[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]carbamate
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| Structure |
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| Formula |
C24H22Cl3N5O3
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| Molecular Weight |
534.831
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| Canonical SMILES |
COC(=O)NCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C
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| InChI |
InChI=1S/C24H22Cl3N5O3/c1-24(2,3)22-30-29-21(35-22)19-16(12-28-23(33)34-4)20(13-5-7-14(25)8-6-13)32(31-19)18-10-9-15(26)11-17(18)27/h5-11H,12H2,1-4H3,(H,28,33)
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| InChIKey |
VUPSSAFXLGGMSD-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