General Information of the Compound
| Compound ID |
CP0879481
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| Compound Name |
3-(3,4-Dichlorophenyl)-6,7-dimethyl-3-(2-dimethylaminoethyl)isochroman-1-one HCl
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| Structure |
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| Formula |
C21H24Cl3NO2
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| Molecular Weight |
428.787
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| Canonical SMILES |
Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc(Cl)c(Cl)c1)C2.Cl
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| InChI |
InChI=1S/C21H23Cl2NO2.ClH/c1-13-9-15-12-21(7-8-24(3)4,16-5-6-18(22)19(23)11-16)26-20(25)17(15)10-14(13)2;/h5-6,9-11H,7-8,12H2,1-4H3;1H
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| InChIKey |
IDBWPPBLMGQHNZ-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