General Information of the Compound
| Compound ID |
CP0534691
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| Compound Name |
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
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| Structure |
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| Formula |
C21H13F3N4O3
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| Molecular Weight |
426.354
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| Canonical SMILES |
OC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C21H13F3N4O3/c22-21(23,24)14-5-1-4-13(9-14)19(29)27-15-6-2-3-12(10-15)17-7-8-25-18-16(20(30)31)11-26-28(17)18/h1-11H,(H,27,29)(H,30,31)
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| InChIKey |
VAGVIWKTWXOXPO-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