General Information of the Compound
| Compound ID |
CP0952677
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)-2-methylpropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
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| Formula |
C17H17ClFN5O2
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| Molecular Weight |
377.807
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| Canonical SMILES |
CC(C)[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C17H17ClFN5O2/c1-10(2)16(11-5-6-12(18)13(19)8-11)21-15(25)9-23-17(26)24-14(22-23)4-3-7-20-24/h3-8,10,16H,9H2,1-2H3,(H,21,25)/t16-/m0/s1
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| InChIKey |
MXEYHLXTUDRFTC-INIZCTEOSA-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