General Information of the Compound
| Compound ID |
CP0914625
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| Compound Name |
(S)-N-(1-(4-(difluoromethoxy)-3-fluorophenyl)ethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C16H14F3N5O3
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| Molecular Weight |
381.314
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2ncccn2c1=O)c1ccc(OC(F)F)c(F)c1
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| InChI |
InChI=1S/C16H14F3N5O3/c1-9(10-3-4-12(11(17)7-10)27-14(18)19)21-13(25)8-24-16(26)23-6-2-5-20-15(23)22-24/h2-7,9,14H,8H2,1H3,(H,21,25)/t9-/m0/s1
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| InChIKey |
OFRALZKGPHMGMU-VIFPVBQESA-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