General Information of the Compound
| Compound ID |
CP0481181
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| Compound Name |
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-methyl-2-phenylpent-1-enyl]phenyl] acetate
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| Structure |
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| Formula |
C30H35NO4
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| Molecular Weight |
473.613
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| Canonical SMILES |
CC(CO)C\C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OC(C)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C30H35NO4/c1-22(21-32)20-29(24-8-6-5-7-9-24)30(26-12-16-28(17-13-26)35-23(2)33)25-10-14-27(15-11-25)34-19-18-31(3)4/h5-17,22,32H,18-21H2,1-4H3/b30-29+
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| InChIKey |
YXZWFFNGLDURRL-QVIHXGFCSA-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