General Information of the Compound
| Compound ID |
CP0902474
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| Compound Name |
Tamoxifen ethyl bromide
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| Synonyms |
Tamoxifen ethyl bromide
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| Structure |
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| Formula |
C28H34BrNO
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| Molecular Weight |
480.49
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| Canonical SMILES |
CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)CC)cc1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C28H34NO.BrH/c1-5-27(23-13-9-7-10-14-23)28(24-15-11-8-12-16-24)25-17-19-26(20-18-25)30-22-21-29(3,4)6-2;/h7-20H,5-6,21-22H2,1-4H3;1H/q+1;/p-1/b28-27-;
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| InChIKey |
BXPXDYCXXNBOQW-LXCLTORNSA-M
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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