General Information of the Compound
| Compound ID |
CP0914631
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| Compound Name |
(S)-2-(5-methoxy-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide
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| Structure |
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| Formula |
C18H17F3N4O4
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| Molecular Weight |
410.352
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| Canonical SMILES |
COc1cccc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n12
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| InChI |
InChI=1S/C18H17F3N4O4/c1-11(12-6-8-13(9-7-12)29-18(19,20)21)22-15(26)10-24-17(27)25-14(23-24)4-3-5-16(25)28-2/h3-9,11H,10H2,1-2H3,(H,22,26)/t11-/m0/s1
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| InChIKey |
VGPSZSSMGOOQEU-NSHDSACASA-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