General Information of the Compound
| Compound ID |
CP0870178
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(5,7-dimethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C17H17ClFN5O2
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| Molecular Weight |
377.807
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| Canonical SMILES |
Cc1cc(C)n2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc2n1
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| InChI |
InChI=1S/C17H17ClFN5O2/c1-9-6-10(2)24-16(20-9)22-23(17(24)26)8-15(25)21-11(3)12-4-5-13(18)14(19)7-12/h4-7,11H,8H2,1-3H3,(H,21,25)/t11-/m0/s1
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| InChIKey |
HJQAULYWUMSUHQ-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