General Information of the Compound
| Compound ID |
CP0085471
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| Compound Name |
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
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| Structure |
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| Formula |
C21H21F3N4O3
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| Molecular Weight |
434.418
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| Canonical SMILES |
Cc1nn2c(cc(nc2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
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| InChI |
InChI=1S/C21H21F3N4O3/c1-12-14(4-3-5-16(12)21(22,23)24)10-15-13(2)26-28-17(20(29)30)11-18(25-19(15)28)27-6-8-31-9-7-27/h3-5,11H,6-10H2,1-2H3,(H,29,30)
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| InChIKey |
WKIXYWMHCOJATQ-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
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform