General Information of the Compound
| Compound ID |
CP0385177
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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)anilino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C28H35N9O4
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| Molecular Weight |
561.647
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NCC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC
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| InChI |
InChI=1S/C28H35N9O4/c1-4-6-21-23-24(36(3)34-21)27(39)33-25(32-23)20-13-19(7-8-22(20)41-5-2)29-14-17-9-11-37(12-10-17)28-30-15-18(16-31-28)26(38)35-40/h7-8,13,15-17,29,40H,4-6,9-12,14H2,1-3H3,(H,35,38)(H,32,33,39)
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| InChIKey |
VAGXJSNOXOLDAD-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