General Information of the Compound
| Compound ID |
CP0028795
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| Compound Name |
5-[2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C21H29N9O3S
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| Molecular Weight |
487.59
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| Canonical SMILES |
CCS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
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| InChI |
InChI=1S/C21H29N9O3S/c1-2-34(31,32)30-5-3-27(4-6-30)13-17-14-29-15-18(16-11-23-21(22)24-12-16)26-20(19(29)25-17)28-7-9-33-10-8-28/h11-12,14-15H,2-10,13H2,1H3,(H2,22,23,24)
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| InChIKey |
YSZKJGOGZGYCHQ-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