General Information of the Compound
| Compound ID |
CP0182080
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| Compound Name |
(Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;hydrochloride
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| Structure |
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| Formula |
C28H34ClNO2
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| Molecular Weight |
452.038
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| Canonical SMILES |
Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
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| InChI |
InChI=1S/C28H33NO2.ClH/c1-22-11-13-24(14-12-22)28(27(10-7-20-30)23-8-5-4-6-9-23)25-15-17-26(18-16-25)31-21-19-29(2)3;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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| InChIKey |
SYXAXPLLPJWTGK-LXCLTORNSA-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