General Information of the Compound
| Compound ID |
CP0520718
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| Compound Name |
N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H30N10O4
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| Molecular Weight |
534.581
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| Canonical SMILES |
COc1ccc(cn1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1
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| InChI |
InChI=1S/C25H30N10O4/c1-15(2)35-18(14-33(3)25-27-12-17(13-28-25)24(36)32-37)29-20-22(34-7-9-39-10-8-34)30-21(31-23(20)35)16-5-6-19(38-4)26-11-16/h5-6,11-13,15,37H,7-10,14H2,1-4H3,(H,32,36)
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| InChIKey |
GPTFICRJKMSGCC-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