General Information of the Compound
| Compound ID |
CP0958446
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| Compound Name |
(S)-N-(1-(3-fluoro-4-(trifluoromethoxy)phenyl)ethyl)-2-(6-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C17H15F4N5O3
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| Molecular Weight |
413.331
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| Canonical SMILES |
Cc1cnc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)c(F)c3)c(=O)n2c1
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| InChI |
InChI=1S/C17H15F4N5O3/c1-9-6-22-15-24-26(16(28)25(15)7-9)8-14(27)23-10(2)11-3-4-13(12(18)5-11)29-17(19,20)21/h3-7,10H,8H2,1-2H3,(H,23,27)/t10-/m0/s1
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| InChIKey |
GNOPYFUDIQJLHN-JTQLQIEISA-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