General Information of the Compound
| Compound ID |
CP0902632
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| Compound Name |
3-(4-Chlorophenyl)-3-(2-dimethylaminoethyl)-6,7-dimethyl-isochromane HCl
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| Structure |
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| Formula |
C21H27Cl2NO
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| Molecular Weight |
380.359
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| Canonical SMILES |
Cc1cc2c(cc1C)CC(CCN(C)C)(c1ccc(Cl)cc1)OC2.Cl
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| InChI |
InChI=1S/C21H26ClNO.ClH/c1-15-11-17-13-21(9-10-23(3)4,19-5-7-20(22)8-6-19)24-14-18(17)12-16(15)2;/h5-8,11-12H,9-10,13-14H2,1-4H3;1H
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| InChIKey |
BQXJEDPKUFGHMY-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