General Information of the Compound
| Compound ID |
CP0551148
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| Compound Name |
2-[[2-(4-tert-butylphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C27H33N9O3
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| Molecular Weight |
531.621
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(C)(C)C)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C27H33N9O3/c1-27(2,3)19-8-6-17(7-9-19)22-31-23-21(24(32-22)36-10-12-39-13-11-36)30-20(35(23)5)16-34(4)26-28-14-18(15-29-26)25(37)33-38/h6-9,14-15,38H,10-13,16H2,1-5H3,(H,33,37)
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| InChIKey |
PRPVKRNLBYLMIC-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