General Information of the Compound
| Compound ID |
CP0451865
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| Compound Name |
4-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-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 |
C25H28FN5O5S
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| Molecular Weight |
529.594
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCc1ccc(OC)c(F)c1
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| InChI |
InChI=1S/C25H28FN5O5S/c1-5-7-19-22-23(31(3)30-19)25(32)29-24(28-22)17-13-16(9-11-20(17)36-6-2)37(33,34)27-14-15-8-10-21(35-4)18(26)12-15/h8-13,27H,5-7,14H2,1-4H3,(H,28,29,32)
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| InChIKey |
FUOLVNKICQCMHH-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