General Information of the Compound
| Compound ID |
CP0958688
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C16H15ClFN5O2
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| Molecular Weight |
363.78
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| Canonical SMILES |
Cc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12
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| InChI |
InChI=1S/C16H15ClFN5O2/c1-9(11-3-4-12(17)13(18)7-11)20-14(24)8-23-16(25)22-6-5-19-10(2)15(22)21-23/h3-7,9H,8H2,1-2H3,(H,20,24)/t9-/m0/s1
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| InChIKey |
RTUVNUOTTGAETK-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