General Information of the Compound
| Compound ID |
CP0470874
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| Compound Name |
(E)-3-[4-[[4-ethoxy-3-(3-ethyl-1-methyl-7-oxo-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]methyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C26H27N5O4
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| Molecular Weight |
473.533
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| Canonical SMILES |
CCOc1ccc(Cc2ccc(\C=C\C(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1
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| InChI |
InChI=1S/C26H27N5O4/c1-4-20-23-24(31(3)29-20)26(33)28-25(27-23)19-15-18(10-12-21(19)35-5-2)14-17-8-6-16(7-9-17)11-13-22(32)30-34/h6-13,15,34H,4-5,14H2,1-3H3,(H,30,32)(H,27,28,33)/b13-11+
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| InChIKey |
WAMOQJZIWYTENL-ACCUITESSA-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