General Information of the Compound
| Compound ID |
CP0556842
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| Compound Name |
2-[[2-[4-[bis(3-methylbut-2-enyl)amino]phenyl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C33H42N10O3
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| Molecular Weight |
626.766
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)N(CC=C(C)C)CC=C(C)C)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C33H42N10O3/c1-22(2)11-13-42(14-12-23(3)4)26-9-7-24(8-10-26)29-37-30-28(31(38-29)43-15-17-46-18-16-43)36-27(41(30)6)21-40(5)33-34-19-25(20-35-33)32(44)39-45/h7-12,19-20,45H,13-18,21H2,1-6H3,(H,39,44)
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| InChIKey |
SXWMTUOQURUNSR-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