General Information of the Compound
| Compound ID |
CP0461496
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| Compound Name |
9-(2-Benzenesulfonylmethyl-benzyl)-6-furan-2-yl-9H-purin-2-ylamine
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| Structure |
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| Formula |
C23H19N5O3S
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| Molecular Weight |
445.504
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| Canonical SMILES |
Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3CS(=O)(=O)c3ccccc3)c2n1
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| InChI |
InChI=1S/C23H19N5O3S/c24-23-26-20(19-11-6-12-31-19)21-22(27-23)28(15-25-21)13-16-7-4-5-8-17(16)14-32(29,30)18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,24,26,27)
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| InChIKey |
LZFWVIFXSFJRRE-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