General Information of the Compound
| Compound ID |
CP0092887
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| Compound Name |
3,4-dimethyl-1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C20H19F3N4O2
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| Molecular Weight |
404.392
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| Canonical SMILES |
Cc1nn(CCc2ccncc2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C
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| InChI |
InChI=1S/C20H19F3N4O2/c1-13-14(2)26-27(12-9-15-7-10-24-11-8-15)18(13)19(28)25-16-3-5-17(6-4-16)29-20(21,22)23/h3-8,10-11H,9,12H2,1-2H3,(H,25,28)
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| InChIKey |
PLMVMDVXAIKLJP-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