General Information of the Compound
| Compound ID |
CP0903305
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| Compound Name |
(S)-N-(1-(3-fluoro-4-methylphenyl)ethyl)-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
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| Formula |
C17H18FN5O2
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| Molecular Weight |
343.362
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| Canonical SMILES |
Cc1ccc([C@H](C)NC(=O)Cn2nc3c(C)ccnn3c2=O)cc1F
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| InChI |
InChI=1S/C17H18FN5O2/c1-10-4-5-13(8-14(10)18)12(3)20-15(24)9-22-17(25)23-16(21-22)11(2)6-7-19-23/h4-8,12H,9H2,1-3H3,(H,20,24)/t12-/m0/s1
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| InChIKey |
XKEBPUFGEPZSSO-LBPRGKRZSA-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