General Information of the Compound
| Compound ID |
CP0492256
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| Compound Name |
ethyl 7-[3-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
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| Structure |
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| Formula |
C23H17F3N4O4
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| Molecular Weight |
470.407
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| Canonical SMILES |
CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(OC(F)(F)F)c2)c1
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| InChI |
InChI=1S/C23H17F3N4O4/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-3-7-16(11-14)29-21(31)15-6-4-8-17(12-15)34-23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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| InChIKey |
UJQMWDXTLBSHIG-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