General Information of the Compound
| Compound ID |
CP0473780
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| Compound Name |
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(4-hydroxyphenyl)but-1-en-2-yl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C27H30N2O4
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| Molecular Weight |
446.547
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| Canonical SMILES |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C27H30N2O4/c1-4-25(19-5-7-22(8-6-19)27(31)28-32)26(20-9-13-23(30)14-10-20)21-11-15-24(16-12-21)33-18-17-29(2)3/h5-16,30,32H,4,17-18H2,1-3H3,(H,28,31)/b26-25-
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| InChIKey |
ZSVQHSBEMKVAAM-QPLCGJKRSA-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