General Information of the Compound
| Compound ID |
CP0411193
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| Compound Name |
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methyl-2-phenylbut-1-enyl]phenol
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| Structure |
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| Formula |
C27H31NO2
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| Molecular Weight |
401.55
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| Canonical SMILES |
CC(C)C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)\c1ccccc1
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| InChI |
InChI=1S/C27H31NO2/c1-20(2)26(21-8-6-5-7-9-21)27(22-10-14-24(29)15-11-22)23-12-16-25(17-13-23)30-19-18-28(3)4/h5-17,20,29H,18-19H2,1-4H3/b27-26-
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| InChIKey |
QJKDTGBJOBJWGU-RQZHXJHFSA-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