General Information of the Compound
| Compound ID |
CP0136306
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| Compound Name |
2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide
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| Structure |
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| Formula |
C19H22N6O4
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| Molecular Weight |
398.423
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| Canonical SMILES |
ONC(=O)CCCCCCOc1ccccc1C(=O)Nc1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C19H22N6O4/c26-15(25-28)9-3-1-2-6-10-29-14-8-5-4-7-13(14)19(27)24-18-16-17(21-11-20-16)22-12-23-18/h4-5,7-8,11-12,28H,1-3,6,9-10H2,(H,25,26)(H2,20,21,22,23,24,27)
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| InChIKey |
ORNKVDXXKWHXNG-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