General Information of the Compound
| Compound ID |
CP0126587
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| Compound Name |
2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
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| Structure |
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| Formula |
C19H20F3N5O2
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| Molecular Weight |
407.396
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| Canonical SMILES |
Cc1nn2c(cc(nc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
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| InChI |
InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(26)10-16(23-18(27)28)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3
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| InChIKey |
JOMBLYKPBRRQBY-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