General Information of the Compound
| Compound ID |
CP0239964
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| Compound Name |
8-(3-aminopiperidin-1-yl)-7-benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C19H24N6O2
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| Molecular Weight |
368.441
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| Canonical SMILES |
Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C19H24N6O2/c1-22-16-15(17(26)23(2)19(22)27)25(11-13-7-4-3-5-8-13)18(21-16)24-10-6-9-14(20)12-24/h3-5,7-8,14H,6,9-12,20H2,1-2H3
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| InChIKey |
BLGQZJNVPWQDPL-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