General Information of the Compound
| Compound ID |
CP0454776
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| Compound Name |
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl] acetate
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| Structure |
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| Formula |
C29H33NO4
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| Molecular Weight |
459.586
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(OC(C)=O)cc1
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| InChI |
InChI=1S/C29H33NO4/c1-22(32)34-27-17-13-25(14-18-27)29(28(10-7-20-31)23-8-5-4-6-9-23)24-11-15-26(16-12-24)33-21-19-30(2)3/h4-6,8-9,11-18,31H,7,10,19-21H2,1-3H3/b29-28+
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| InChIKey |
SJDZQIMTXCJIBA-ZQHSETAFSA-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: PT03765, Estrogen-related receptor gamma
Protein ID: PT02640, Steroid hormone receptor ERR2