General Information of the Compound
| Compound ID |
CP0533284
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| Compound Name |
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C20H17F4N3O3
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| Molecular Weight |
423.366
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| Canonical SMILES |
CC1=NN(C(=O)C1C(=O)Nc1cccc(c1)C(C)(F)F)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C20H17F4N3O3/c1-11-16(17(28)25-13-5-3-4-12(10-13)20(2,23)24)18(29)27(26-11)14-6-8-15(9-7-14)30-19(21)22/h3-10,16,19H,1-2H3,(H,25,28)
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| InChIKey |
RKHTWHXFUQTRLX-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