General Information of the Compound
| Compound ID |
CP0556841
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| Compound Name |
2-[[2-(2-aminopyrimidin-5-yl)-9-ethyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C22H26N12O3
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| Molecular Weight |
506.531
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| Canonical SMILES |
CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
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| InChI |
InChI=1S/C22H26N12O3/c1-3-34-15(12-32(2)22-26-10-14(11-27-22)20(35)31-36)28-16-18(33-4-6-37-7-5-33)29-17(30-19(16)34)13-8-24-21(23)25-9-13/h8-11,36H,3-7,12H2,1-2H3,(H,31,35)(H2,23,24,25)
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| InChIKey |
JZOAUZSYKPVSHN-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