General Information of the Compound
| Compound ID |
CP0008587
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| Compound Name |
5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H27N9O3S
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| Molecular Weight |
473.563
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| Canonical SMILES |
CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C20H27N9O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-10-18-19(27-6-8-32-9-7-27)24-17(14-29(18)25-16)15-11-22-20(21)23-12-15/h10-12,14H,2-9,13H2,1H3,(H2,21,22,23)
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| InChIKey |
XEBRAMSBPJUGET-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