General Information of the Compound
| Compound ID |
CP0473573
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| Compound Name |
2-[[9-cyclopentyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C28H33N9O4
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| Molecular Weight |
559.631
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C3CCCC3)c2n1
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| InChI |
InChI=1S/C28H33N9O4/c1-35(28-29-15-19(16-30-28)27(38)34-39)17-22-31-23-25(36-11-13-41-14-12-36)32-24(18-7-9-21(40-2)10-8-18)33-26(23)37(22)20-5-3-4-6-20/h7-10,15-16,20,39H,3-6,11-14,17H2,1-2H3,(H,34,38)
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| InChIKey |
CHIAYMWNEKVCTH-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