General Information of the Compound
| Compound ID |
CP0864984
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| Compound Name |
3-(4-Bromophenyl)-3-(2-dimethylaminoethyl)isochroman-1-one HCl
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| Structure |
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| Formula |
C19H21BrClNO2
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| Molecular Weight |
410.739
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| Canonical SMILES |
CN(C)CCC1(c2ccc(Br)cc2)Cc2ccccc2C(=O)O1.Cl
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| InChI |
InChI=1S/C19H20BrNO2.ClH/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19;/h3-10H,11-13H2,1-2H3;1H
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| InChIKey |
AOQJDDAQAZWUAS-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