General Information of the Compound
| Compound ID |
CP0002022
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| Compound Name |
2-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H31N9O6S
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| Molecular Weight |
597.658
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C26H31N9O6S/c1-4-6-19-21-22(33(3)31-19)25(37)30-23(29-21)18-13-17(7-8-20(18)41-5-2)42(39,40)35-11-9-34(10-12-35)26-27-14-16(15-28-26)24(36)32-38/h7-8,13-15,38H,4-6,9-12H2,1-3H3,(H,32,36)(H,29,30,37)
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| InChIKey |
WNMRXNCXRGFIHO-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