General Information of the Compound
| Compound ID |
CP0406632
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| Compound Name |
8-[1-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C26H33N7O3
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| Molecular Weight |
491.596
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CCN(C2)c2ccc(OC)cc2)c1
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| InChI |
InChI=1S/C26H33N7O3/c1-4-11-32-24-22(25(34)33(12-5-2)26(32)35)28-23(29-24)19-14-27-31(17-19)16-18-10-13-30(15-18)20-6-8-21(36-3)9-7-20/h6-9,14,17-18H,4-5,10-13,15-16H2,1-3H3,(H,28,29)
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| InChIKey |
NPUPIAZFZHGANI-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