General Information of the Compound
| Compound ID |
CP0962207
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C16H16ClFN6O2
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| Molecular Weight |
378.795
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| Canonical SMILES |
CNc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12
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| InChI |
InChI=1S/C16H16ClFN6O2/c1-9(10-3-4-11(17)12(18)7-10)21-13(25)8-24-16(26)23-6-5-20-14(19-2)15(23)22-24/h3-7,9H,8H2,1-2H3,(H,19,20)(H,21,25)/t9-/m0/s1
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| InChIKey |
WJIOBQOZGBRDLP-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