General Information of the Compound
| Compound ID |
CP0458873
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| Compound Name |
7-benzyl-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C17H20N6O2
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| Molecular Weight |
340.387
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| Canonical SMILES |
Cn1c2nc(N3CCNCC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O
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| InChI |
InChI=1S/C17H20N6O2/c1-21-14-13(15(24)20-17(21)25)23(11-12-5-3-2-4-6-12)16(19-14)22-9-7-18-8-10-22/h2-6,18H,7-11H2,1H3,(H,20,24,25)
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| InChIKey |
OSWQQKHGTFZUND-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
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT06109, Geminin