General Information of the Compound
| Compound ID |
CP0903791
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| Compound Name |
SID495024
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| Synonyms |
(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N,N-trimethylethanaminium iodide
107256-99-5
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-trimethylazanium iodide
AC1MHWIV
CHEMBL1213783
Ethanaminium, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N,N-trimethyl-, iodide, (Z)-
MLS002701640
N-Methyltamoxifen iodide
NSC-630510
NSC630510
PXJJOGITBQXZEQ-JTHROIFXSA-M
Tamoxifen methiodide
Tamoxifen methyl iodide
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| Structure |
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| Formula |
C27H32INO
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| Molecular Weight |
513.463
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| Canonical SMILES |
CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1.[I-]
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| InChI |
InChI=1S/C27H32NO.HI/c1-5-26(22-12-8-6-9-13-22)27(23-14-10-7-11-15-23)24-16-18-25(19-17-24)29-21-20-28(2,3)4;/h6-19H,5,20-21H2,1-4H3;1H/q+1;/p-1/b27-26-;
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| InChIKey |
PXJJOGITBQXZEQ-JTHROIFXSA-M
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| CAS |
107256-99-5
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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
Clinical Information about the Compound