General Information of the Compound
| Compound ID |
CP0551150
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| Compound Name |
N-hydroxy-2-[methyl-[[9-methyl-6-morpholin-4-yl-2-(3,4,5-trimethoxyphenyl)purin-8-yl]methyl]amino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H31N9O6
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| Molecular Weight |
565.591
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
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| InChI |
InChI=1S/C26H31N9O6/c1-33(26-27-12-16(13-28-26)25(36)32-37)14-19-29-20-23(34(19)2)30-22(31-24(20)35-6-8-41-9-7-35)15-10-17(38-3)21(40-5)18(11-15)39-4/h10-13,37H,6-9,14H2,1-5H3,(H,32,36)
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| InChIKey |
HHDYRXKUDYTQHA-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