General Information of the Compound
| Compound ID |
CP0943680
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| Compound Name |
(S)-2-(8-((2,2-difluoroethyl)amino)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide
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| Structure |
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| Formula |
C18H17F5N6O3
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| Molecular Weight |
460.363
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2c(NCC(F)F)ccnn2c1=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C18H17F5N6O3/c1-10(11-2-4-12(5-3-11)32-18(21,22)23)26-15(30)9-28-17(31)29-16(27-28)13(6-7-25-29)24-8-14(19)20/h2-7,10,14,24H,8-9H2,1H3,(H,26,30)/t10-/m0/s1
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| InChIKey |
JZXTXRQFIPRKQR-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