General Information of the Compound
| Compound ID |
CP0013670
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| Compound Name |
5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C19H26N10O3S
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| Molecular Weight |
474.551
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| Canonical SMILES |
CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
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| InChIKey |
LFNUJWZBIXHQJT-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