General Information of the Compound
| Compound ID |
CP0478310
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| Compound Name |
N-[3-(dimethylamino)propyl]-4-ethoxy-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 |
C22H32N6O4S
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| Molecular Weight |
476.603
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCN(C)C
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| InChI |
InChI=1S/C22H32N6O4S/c1-6-9-17-19-20(28(5)26-17)22(29)25-21(24-19)16-14-15(10-11-18(16)32-7-2)33(30,31)23-12-8-13-27(3)4/h10-11,14,23H,6-9,12-13H2,1-5H3,(H,24,25,29)
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| InChIKey |
KPUBOLXHXDXMFM-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