General Information of the Compound
| Compound ID |
CP0385172
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| Compound Name |
2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-N-hydroxy-2-azaspiro[5.5]undecane-9-carboxamide
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| Structure |
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| Formula |
C28H38N6O4
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| Molecular Weight |
522.65
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)N1CCCC2(CCC(CC2)C(=O)NO)C1
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| InChI |
InChI=1S/C28H38N6O4/c1-4-7-21-23-24(33(3)31-21)27(36)30-25(29-23)20-16-19(8-9-22(20)38-5-2)34-15-6-12-28(17-34)13-10-18(11-14-28)26(35)32-37/h8-9,16,18,37H,4-7,10-15,17H2,1-3H3,(H,32,35)(H,29,30,36)
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| InChIKey |
LECHQHPOTZRDEW-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