General Information of the Compound
| Compound ID |
CP0019698
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| Compound Name |
5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C21H26F3N9O3S
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| Molecular Weight |
541.56
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| Canonical SMILES |
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)
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| InChIKey |
OIFRMGWBMAWZFZ-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