General Information of the Compound
| Compound ID |
CP0904784
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| Compound Name |
(8-amino-3-(2-methyl-3-(trifluoromethyl)benzyl)-6-morpholinoimidazo[1,2-b]pyridazin-2-yl)methanol methanesulfonate
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| Structure |
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| Formula |
C21H26F3N5O5S
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| Molecular Weight |
517.53
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| Canonical SMILES |
CS(=O)(=O)O.Cc1c(Cc2c(CO)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
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| InChI |
InChI=1S/C20H22F3N5O2.CH4O3S/c1-12-13(3-2-4-14(12)20(21,22)23)9-17-16(11-29)25-19-15(24)10-18(26-28(17)19)27-5-7-30-8-6-27;1-5(2,3)4/h2-4,10,29H,5-9,11,24H2,1H3;1H3,(H,2,3,4)
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| InChIKey |
IJKRASZDCNSORU-UHFFFAOYSA-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