General Information of the Compound
| Compound ID |
CP0510628
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| Compound Name |
2-[[2-[4-(ethylamino)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 |
C25H30N10O3
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| Molecular Weight |
518.582
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| Canonical SMILES |
CCNc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
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| InChI |
InChI=1S/C25H30N10O3/c1-4-26-18-7-5-16(6-8-18)21-30-22-20(23(31-21)35-9-11-38-12-10-35)29-19(34(22)3)15-33(2)25-27-13-17(14-28-25)24(36)32-37/h5-8,13-14,26,37H,4,9-12,15H2,1-3H3,(H,32,36)
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| InChIKey |
ZWAVQHHSGALUAY-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