General Information of the Compound
| Compound ID |
CP0522209
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| Compound Name |
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H34N6O4S
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| Molecular Weight |
502.641
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCN1CCCCC1
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| InChI |
InChI=1S/C24H34N6O4S/c1-4-9-19-21-22(29(3)28-19)24(31)27-23(26-21)18-16-17(10-11-20(18)34-5-2)35(32,33)25-12-15-30-13-7-6-8-14-30/h10-11,16,25H,4-9,12-15H2,1-3H3,(H,26,27,31)
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| InChIKey |
HJTVJQLKDKSSRA-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