General Information of the Compound
| Compound ID |
CP0471693
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| Compound Name |
2-[[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C23H28N12O3
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| Molecular Weight |
520.558
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| Canonical SMILES |
CC(C)n1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
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| InChI |
InChI=1S/C23H28N12O3/c1-13(2)35-16(12-33(3)23-27-10-15(11-28-23)21(36)32-37)29-17-19(34-4-6-38-7-5-34)30-18(31-20(17)35)14-8-25-22(24)26-9-14/h8-11,13,37H,4-7,12H2,1-3H3,(H,32,36)(H2,24,25,26)
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| InChIKey |
PABZOVIMTKKTIE-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