General Information of the Compound
| Compound ID |
CP0432322
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| Compound Name |
4-ethoxy-N-(3-hydroxypropyl)-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H27N5O5S
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| Molecular Weight |
449.533
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCO
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| InChI |
InChI=1S/C20H27N5O5S/c1-4-7-15-17-18(25(3)24-15)20(27)23-19(22-17)14-12-13(8-9-16(14)30-5-2)31(28,29)21-10-6-11-26/h8-9,12,21,26H,4-7,10-11H2,1-3H3,(H,22,23,27)
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| InChIKey |
SPEIGVCKJVQHCE-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