General Information of the Compound
| Compound ID |
CP0962196
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(7-iodo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Formula |
C16H13ClFIN4O2
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| Molecular Weight |
474.661
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cc(I)ccn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C16H13ClFIN4O2/c1-9(10-2-3-12(17)13(18)6-10)20-15(24)8-23-16(25)22-5-4-11(19)7-14(22)21-23/h2-7,9H,8H2,1H3,(H,20,24)/t9-/m0/s1
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| InChIKey |
OKEJLMMSKVLPHN-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