General Information of the Compound
| Compound ID |
CP0942934
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| Compound Name |
N-((S)-1-(4-chloro-3-fluorophenyl)ethyl)-2-(5-(3-methylmorpholino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C21H23ClFN5O3
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| Molecular Weight |
447.898
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| Canonical SMILES |
CC1COCCN1c1cccc2nn(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)c(=O)n12
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| InChI |
InChI=1S/C21H23ClFN5O3/c1-13-12-31-9-8-26(13)20-5-3-4-18-25-27(21(30)28(18)20)11-19(29)24-14(2)15-6-7-16(22)17(23)10-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,24,29)/t13?,14-/m0/s1
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| InChIKey |
MIFSOXJNKMMPPT-KZUDCZAMSA-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
Protein ID: PT06277, Probable G-protein coupled receptor 139
Protein ID: PT06789, Probable G-protein coupled receptor 139