General Information of the Compound
| Compound ID |
CP0898611
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| Compound Name |
(S)-2-(8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide
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| Formula |
C17H17F3N6O3
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| Molecular Weight |
410.356
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| Canonical SMILES |
CNc1ccnn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc12
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| InChI |
InChI=1S/C17H17F3N6O3/c1-10(11-3-5-12(6-4-11)29-17(18,19)20)23-14(27)9-25-16(28)26-15(24-25)13(21-2)7-8-22-26/h3-8,10,21H,9H2,1-2H3,(H,23,27)/t10-/m0/s1
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| InChIKey |
CRLCKMXHMPDGCP-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