General Information of the Compound
| Compound ID |
CP0530971
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| Compound Name |
N-hydroxy-2-[methyl-[[9-methyl-2-(4-methylsulfonylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C24H27N9O5S
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| Molecular Weight |
553.605
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)S(C)(=O)=O)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C24H27N9O5S/c1-31(24-25-12-16(13-26-24)23(34)30-35)14-18-27-19-21(32(18)2)28-20(29-22(19)33-8-10-38-11-9-33)15-4-6-17(7-5-15)39(3,36)37/h4-7,12-13,35H,8-11,14H2,1-3H3,(H,30,34)
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| InChIKey |
MEVLDKCVPRQTFM-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