General Information of the Compound
| Compound ID |
CP0507003
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| Compound Name |
2-[[2-(4-ethylphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H29N9O3
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| Molecular Weight |
503.567
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| Canonical SMILES |
CCc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
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| InChI |
InChI=1S/C25H29N9O3/c1-4-16-5-7-17(8-6-16)21-29-22-20(23(30-21)34-9-11-37-12-10-34)28-19(33(22)3)15-32(2)25-26-13-18(14-27-25)24(35)31-36/h5-8,13-14,36H,4,9-12,15H2,1-3H3,(H,31,35)
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| InChIKey |
ILMBVTBLVLZLAE-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