General Information of the Compound
| Compound ID |
CP0410227
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| Compound Name |
4-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C25H27N5O4
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| Molecular Weight |
461.522
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| Canonical SMILES |
CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(cc2)C(=O)NO)ccc1OCC
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| InChI |
InChI=1S/C25H27N5O4/c1-4-6-21-26-15(3)22-25(32)27-23(28-30(21)22)19-14-17(9-12-20(19)34-5-2)13-16-7-10-18(11-8-16)24(31)29-33/h7-12,14,33H,4-6,13H2,1-3H3,(H,29,31)(H,27,28,32)
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| InChIKey |
OHUQSMQMNUAQHM-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