General Information of the Compound
| Compound ID |
CP0410156
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| Compound Name |
methyl (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-2-methyl-4-phenylpent-4-enoate
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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 |
COC(=O)C(C)C\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H33NO4/c1-21(29(32)33-4)20-27(22-8-6-5-7-9-22)28(23-10-14-25(31)15-11-23)24-12-16-26(17-13-24)34-19-18-30(2)3/h5-17,21,31H,18-20H2,1-4H3/b28-27-
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| InChIKey |
DYYQOUVXQYDGMR-DQSJHHFOSA-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