General Information of the Compound
| Compound ID |
CP0395676
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| Compound Name |
(E)-3-[4-[[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C31H37N7O6S
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| Molecular Weight |
635.747
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)CC1
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| InChI |
InChI=1S/C31H37N7O6S/c1-4-6-25-28-29(36(3)34-25)31(40)33-30(32-28)24-19-23(12-13-26(24)44-5-2)45(42,43)38-17-15-37(16-18-38)20-22-9-7-21(8-10-22)11-14-27(39)35-41/h7-14,19,41H,4-6,15-18,20H2,1-3H3,(H,35,39)(H,32,33,40)/b14-11+
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| InChIKey |
SBNXVUVSBSHGHC-SDNWHVSQSA-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