General Information of the Compound
| Compound ID |
CP0470868
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| Compound Name |
3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]piperidin-4-yl]-N-hydroxypropanamide
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| Structure |
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| Formula |
C25H34N6O4
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| Molecular Weight |
482.585
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCC(CCC(=O)NO)CC1
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| InChI |
InChI=1S/C25H34N6O4/c1-4-6-19-22-23(30(3)28-19)25(33)27-24(26-22)18-15-17(8-9-20(18)35-5-2)31-13-11-16(12-14-31)7-10-21(32)29-34/h8-9,15-16,34H,4-7,10-14H2,1-3H3,(H,29,32)(H,26,27,33)
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| InChIKey |
MLAVJWXMLJDXJL-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