General Information of the Compound
| Compound ID |
CP0845338
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| Compound Name |
3-(3,4-Dichlorophenyl)-3-(2-dimethylaminoethyl)isochroman-1-one HCl
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| Structure |
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| Formula |
C19H20Cl3NO2
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| Molecular Weight |
400.733
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| Canonical SMILES |
CN(C)CCC1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1.Cl
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| InChI |
InChI=1S/C19H19Cl2NO2.ClH/c1-22(2)10-9-19(14-7-8-16(20)17(21)11-14)12-13-5-3-4-6-15(13)18(23)24-19;/h3-8,11H,9-10,12H2,1-2H3;1H
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| InChIKey |
QJFMRLCFWSTTNL-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