General Information of the Compound
| Compound ID |
CP0001245
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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]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C27H33N9O4
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| Molecular Weight |
547.62
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ncc(cn2)C(=O)NO)ccc1OCC
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| InChI |
InChI=1S/C27H33N9O4/c1-4-6-20-22-23(35(3)33-20)26(38)32-24(31-22)19-13-18(7-8-21(19)40-5-2)30-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)34-39/h7-8,13-15,17,30,39H,4-6,9-12H2,1-3H3,(H,34,37)(H,31,32,38)
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| InChIKey |
HHVZIHMMVKGUNH-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