General Information of the Compound
| Compound ID |
CP0510627
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| Compound Name |
N-hydroxy-2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H31N9O4
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| Molecular Weight |
533.593
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1
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| InChI |
InChI=1S/C26H31N9O4/c1-16(2)35-20(15-33(3)26-27-13-18(14-28-26)25(36)32-37)29-21-23(34-9-11-39-12-10-34)30-22(31-24(21)35)17-5-7-19(38-4)8-6-17/h5-8,13-14,16,37H,9-12,15H2,1-4H3,(H,32,36)
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| InChIKey |
PYWFANCSAVFFLU-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