General Information of the Compound
| Compound ID |
CP0871705
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| Compound Name |
3-(4-Chlorophenyl)-3-(2-dimethylaminoethyl)-3,4-dihydro-5-methoxy-2-methyl-2H-isoquinolin-1-one HCl
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| Structure |
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| Formula |
C21H26Cl2N2O2
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| Molecular Weight |
409.357
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| Canonical SMILES |
COc1cccc2c1CC(CCN(C)C)(c1ccc(Cl)cc1)N(C)C2=O.Cl
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| InChI |
InChI=1S/C21H25ClN2O2.ClH/c1-23(2)13-12-21(15-8-10-16(22)11-9-15)14-18-17(20(25)24(21)3)6-5-7-19(18)26-4;/h5-11H,12-14H2,1-4H3;1H
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| InChIKey |
NSHBUJANBRWXMX-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