General Information of the Compound
| Compound ID |
CP0438795
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| Compound Name |
N-[(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)methyl]benzamide
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| Structure |
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| Formula |
C19H23N5O3
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| Molecular Weight |
369.425
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| Canonical SMILES |
CCCn1c2nc(CNC(=O)c3ccccc3)[nH]c2c(=O)n(CCC)c1=O
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| InChI |
InChI=1S/C19H23N5O3/c1-3-10-23-16-15(18(26)24(11-4-2)19(23)27)21-14(22-16)12-20-17(25)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,20,25)(H,21,22)
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| InChIKey |
AJDXMOPDXIREQH-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