General Information of the Compound
| Compound ID |
CP0458035
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| Compound Name |
8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(naphthalen-1-ylmethyl)purine-2,6-dione
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| Structure |
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| Formula |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
CC#CCn1c(nc2n(C)c(=O)n(Cc3cccc4ccccc34)c(=O)c12)N1CCCC(N)C1
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| InChI |
InChI=1S/C26H28N6O2/c1-3-4-15-31-22-23(28-25(31)30-14-8-12-20(27)17-30)29(2)26(34)32(24(22)33)16-19-11-7-10-18-9-5-6-13-21(18)19/h5-7,9-11,13,20H,8,12,14-17,27H2,1-2H3
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| InChIKey |
FATTVMQWGBCRGN-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