General Information of the Compound
| Compound ID |
CP0410225
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| Compound Name |
5-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-N-hydroxythiophene-2-carboxamide
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| Structure |
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| Formula |
C22H23N5O4S
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| Molecular Weight |
453.524
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)-c1ccc(s1)C(=O)NO
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| InChI |
InChI=1S/C22H23N5O4S/c1-4-6-14-18-19(27(3)25-14)22(29)24-20(23-18)13-11-12(7-8-15(13)31-5-2)16-9-10-17(32-16)21(28)26-30/h7-11,30H,4-6H2,1-3H3,(H,26,28)(H,23,24,29)
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| InChIKey |
FCFLWZALCRYDOY-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
Protein ID: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6