General Information of the Compound
| Compound ID |
CP0943033
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(7-methoxy-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 |
C17H17ClFN5O3
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| Molecular Weight |
393.806
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| Canonical SMILES |
COc1nc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)c(=O)n2cc1C
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| InChI |
InChI=1S/C17H17ClFN5O3/c1-9-7-23-16(21-15(9)27-3)22-24(17(23)26)8-14(25)20-10(2)11-4-5-12(18)13(19)6-11/h4-7,10H,8H2,1-3H3,(H,20,25)/t10-/m0/s1
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| InChIKey |
OXRGZEJMRGXAAC-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