General Information of the Compound
| Compound ID |
CP0413176
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| Compound Name |
8-[1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C27H34N8O3
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| Molecular Weight |
518.622
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C27H34N8O3/c1-4-10-34-25-23(26(37)35(11-5-2)27(34)38)29-24(30-25)20-16-28-33(17-20)18-22(36)32-14-12-31(13-15-32)21-8-6-19(3)7-9-21/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,29,30)
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| InChIKey |
MAEJGFMVLWHJPK-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