General Information of the Compound
| Compound ID |
CP0911968
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(3-oxo-8-(piperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C20H22ClFN6O2
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| Molecular Weight |
432.887
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2c(N3CCCCC3)nccn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C20H22ClFN6O2/c1-13(14-5-6-15(21)16(22)11-14)24-17(29)12-28-20(30)27-10-7-23-18(19(27)25-28)26-8-3-2-4-9-26/h5-7,10-11,13H,2-4,8-9,12H2,1H3,(H,24,29)/t13-/m0/s1
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| InChIKey |
CMOZRUUZDGQNCG-ZDUSSCGKSA-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