General Information of the Compound
| Compound ID |
CP0496541
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| Compound Name |
2,2,2-trifluoroethyl 7-(3-(3-(trifluoromethyl)benzamido)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
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| Structure |
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| Formula |
C23H14F6N4O3
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| Molecular Weight |
508.378
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| Canonical SMILES |
FC(F)(F)COC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C23H14F6N4O3/c24-22(25,26)12-36-21(35)17-11-31-33-18(7-8-30-19(17)33)13-3-2-6-16(10-13)32-20(34)14-4-1-5-15(9-14)23(27,28)29/h1-11H,12H2,(H,32,34)
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| InChIKey |
CYKSRYDSCLHTAL-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