General Information of the Compound
| Compound ID |
CP0465496
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| Compound Name |
8-(3-aminopiperidin-1-yl)-1-benzyl-3-methyl-7-(3-methylbut-2-enyl)-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C23H30N6O2
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| Molecular Weight |
422.533
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| Canonical SMILES |
CC(C)=CCn1c(nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12)N1CCCC(N)C1
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| InChI |
InChI=1S/C23H30N6O2/c1-16(2)11-13-28-19-20(25-22(28)27-12-7-10-18(24)15-27)26(3)23(31)29(21(19)30)14-17-8-5-4-6-9-17/h4-6,8-9,11,18H,7,10,12-15,24H2,1-3H3
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| InChIKey |
ZWZZRPIPPWFXRT-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