General Information of the Compound
| Compound ID |
CP0964630
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(5-(3,3-difluoroazetidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C19H17ClF3N5O2
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| Molecular Weight |
439.825
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cccc(N3CC(F)(F)C3)n2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C19H17ClF3N5O2/c1-11(12-5-6-13(20)14(21)7-12)24-16(29)8-27-18(30)28-15(25-27)3-2-4-17(28)26-9-19(22,23)10-26/h2-7,11H,8-10H2,1H3,(H,24,29)/t11-/m0/s1
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| InChIKey |
VLWOCUFOQZBORP-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
Protein ID: PT06277, Probable G-protein coupled receptor 139
Protein ID: PT06789, Probable G-protein coupled receptor 139