General Information of the Compound
| Compound ID |
CP0399966
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| Compound Name |
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(3-methylbut-2-enyl)-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C17H26N6O2
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| Molecular Weight |
346.435
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| Canonical SMILES |
CC(C)=CCn1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCCC(N)C1
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| InChI |
InChI=1S/C17H26N6O2/c1-11(2)7-9-23-13-14(20(3)17(25)21(4)15(13)24)19-16(23)22-8-5-6-12(18)10-22/h7,12H,5-6,8-10,18H2,1-4H3
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| InChIKey |
PGUDEELHWPODPT-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