General Information of the Compound
| Compound ID |
CP0887604
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| Compound Name |
(S)-2-(8-iodo-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide
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| Structure |
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| Formula |
C16H13F3IN5O3
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| Molecular Weight |
507.21
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2c(I)ccnn2c1=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C16H13F3IN5O3/c1-9(10-2-4-11(5-3-10)28-16(17,18)19)22-13(26)8-24-15(27)25-14(23-24)12(20)6-7-21-25/h2-7,9H,8H2,1H3,(H,22,26)/t9-/m0/s1
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| InChIKey |
ANLLKEQWCAFUCO-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