General Information of the Compound
| Compound ID |
CP0903319
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| Compound Name |
(S)-2-(6-methyl-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 |
C18H17F3N4O3
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| Molecular Weight |
394.353
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| Canonical SMILES |
Cc1ccc2nn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)n2c1
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| InChI |
InChI=1S/C18H17F3N4O3/c1-11-3-8-15-23-25(17(27)24(15)9-11)10-16(26)22-12(2)13-4-6-14(7-5-13)28-18(19,20)21/h3-9,12H,10H2,1-2H3,(H,22,26)/t12-/m0/s1
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| InChIKey |
FOKRRCBYKKKISL-LBPRGKRZSA-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