General Information of the Compound
| Compound ID |
CP0001244
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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)phenyl]sulfonylamino]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C27H33N9O6S
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| Molecular Weight |
611.685
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| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC1CCN(CC1)c1ncc(cn1)C(=O)NO
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| InChI |
InChI=1S/C27H33N9O6S/c1-4-6-20-22-23(35(3)32-20)26(38)31-24(30-22)19-13-18(7-8-21(19)42-5-2)43(40,41)34-17-9-11-36(12-10-17)27-28-14-16(15-29-27)25(37)33-39/h7-8,13-15,17,34,39H,4-6,9-12H2,1-3H3,(H,33,37)(H,30,31,38)
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| InChIKey |
RYUAYVJJTOJXBO-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