General Information of the Compound
| Compound ID |
CP0871706
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| Compound Name |
3-(4-Chlorophenyl)-3-(2-dimethylaminoethyl)-3,4-dihydro-2-isopropyl-2H-isoquinolin-1-one HCl
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| Structure |
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| Formula |
C22H28Cl2N2O
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| Molecular Weight |
407.385
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| Canonical SMILES |
CC(C)N1C(=O)c2ccccc2CC1(CCN(C)C)c1ccc(Cl)cc1.Cl
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| InChI |
InChI=1S/C22H27ClN2O.ClH/c1-16(2)25-21(26)20-8-6-5-7-17(20)15-22(25,13-14-24(3)4)18-9-11-19(23)12-10-18;/h5-12,16H,13-15H2,1-4H3;1H
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| InChIKey |
SHVKIROJXUGJMA-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