General Information of the Compound
| Compound ID |
CP0888739
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| Compound Name |
1-[4-(4-Diethylaminomethyl-benzyloxy)-phenyl]-ethanone hydrochloride
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| Structure |
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| Formula |
C20H26ClNO2
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| Molecular Weight |
347.886
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| Canonical SMILES |
CCN(CC)Cc1ccc(COc2ccc(C(C)=O)cc2)cc1.Cl
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| InChI |
InChI=1S/C20H25NO2.ClH/c1-4-21(5-2)14-17-6-8-18(9-7-17)15-23-20-12-10-19(11-13-20)16(3)22;/h6-13H,4-5,14-15H2,1-3H3;1H
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| InChIKey |
RPWZJALGVTVQEV-UHFFFAOYSA-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