General Information of the Compound
| Compound ID |
CP0415519
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| Compound Name |
N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-pyrimidin-5-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C21H23N11O3
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| Molecular Weight |
477.489
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| Canonical SMILES |
CN(Cc1nc2c(nc(nc2n1C)-c1cncnc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C21H23N11O3/c1-30(21-24-9-14(10-25-21)20(33)29-34)11-15-26-16-18(31(15)2)27-17(13-7-22-12-23-8-13)28-19(16)32-3-5-35-6-4-32/h7-10,12,34H,3-6,11H2,1-2H3,(H,29,33)
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| InChIKey |
YDADZTFICPFSQK-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