General Information of the Compound
| Compound ID |
CP0557707
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| Compound Name |
8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-propylpurine-2,6-dione
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| Structure |
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| Formula |
C25H26N6O4S
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| Molecular Weight |
506.588
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| Canonical SMILES |
CCCN1C(=O)N=C2N=C(N=C2C1=O)c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H26N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3
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| InChIKey |
BZHKYRCAJIBFCR-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