General Information of the Compound
| Compound ID |
CP0386673
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| Compound Name |
5-[4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(4-hydroxyphenyl)but-1-en-2-yl]phenyl]-N-hydroxypentanamide
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| Structure |
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| Formula |
C31H38N2O4
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| Molecular Weight |
502.655
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| Canonical SMILES |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(CCCCC(=O)NO)cc1
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| InChI |
InChI=1S/C31H38N2O4/c1-4-29(24-11-9-23(10-12-24)7-5-6-8-30(35)32-36)31(25-13-17-27(34)18-14-25)26-15-19-28(20-16-26)37-22-21-33(2)3/h9-20,34,36H,4-8,21-22H2,1-3H3,(H,32,35)/b31-29-
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| InChIKey |
YXJPLEKIYDOIFE-YCNYHXFESA-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: PT00886, Estrogen receptor
Protein ID: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay