General Information of the Compound
| Compound ID |
CP0858700
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| Compound Name |
Tamoxifen butyl bromide
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| Synonyms |
Tamoxifen butyl bromide
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| Structure |
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| Formula |
C30H38BrNO
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| Molecular Weight |
508.544
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| Canonical SMILES |
CCCC[N+](C)(C)CCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccccc2)cc1.[Br-]
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| InChI |
InChI=1S/C30H38NO.BrH/c1-5-7-22-31(3,4)23-24-32-28-20-18-27(19-21-28)30(26-16-12-9-13-17-26)29(6-2)25-14-10-8-11-15-25;/h8-21H,5-7,22-24H2,1-4H3;1H/q+1;/p-1/b30-29-;
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| InChIKey |
XHYMZYZWHWNTMN-DHKWPOFJSA-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