General Information of the Compound
| Compound ID |
CP0525667
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| Compound Name |
3-benzyl-8-(1-benzyl-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C22H18N6O2
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| Molecular Weight |
398.426
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| Canonical SMILES |
O=c1[nH]c(=O)c2[nH]c(nc2n1Cc1ccccc1)-c1cnn(Cc2ccccc2)c1
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| InChI |
InChI=1S/C22H18N6O2/c29-21-18-20(28(22(30)26-21)13-16-9-5-2-6-10-16)25-19(24-18)17-11-23-27(14-17)12-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,24,25)(H,26,29,30)
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| InChIKey |
CGSXQKBHWUONAL-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