General Information of the Compound
| Compound ID |
CP0955703
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(3-oxo-7-phenyl-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C22H18ClFN4O2
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| Molecular Weight |
424.863
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cc(-c3ccccc3)ccn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C22H18ClFN4O2/c1-14(16-7-8-18(23)19(24)11-16)25-21(29)13-28-22(30)27-10-9-17(12-20(27)26-28)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,25,29)/t14-/m0/s1
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| InChIKey |
AUPLVSRNEDDDDD-AWEZNQCLSA-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