General Information of the Compound
| Compound ID |
CP0395674
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| Compound Name |
2-[4-[[4-ethoxy-3-(3-ethyl-1-methyl-7-oxo-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H31N9O4
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| Molecular Weight |
533.593
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| Canonical SMILES |
CCOc1ccc(CN2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1
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| InChI |
InChI=1S/C26H31N9O4/c1-4-19-21-22(33(3)31-19)25(37)30-23(29-21)18-12-16(6-7-20(18)39-5-2)15-34-8-10-35(11-9-34)26-27-13-17(14-28-26)24(36)32-38/h6-7,12-14,38H,4-5,8-11,15H2,1-3H3,(H,32,36)(H,29,30,37)
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| InChIKey |
AUCLUKFMBLSKNX-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