General Information of the Compound
| Compound ID |
CP0852086
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| Compound Name |
3-(2-Dimethylaminoethyl)-6,7-dimethyl-3-(2-naphthyl)isochroman-1-one HCl
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| Structure |
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| Formula |
C25H28ClNO2
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| Molecular Weight |
409.957
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| Canonical SMILES |
Cc1cc2c(cc1C)C(=O)OC(CCN(C)C)(c1ccc3ccccc3c1)C2.Cl
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| InChI |
InChI=1S/C25H27NO2.ClH/c1-17-13-21-16-25(11-12-26(3)4,28-24(27)23(21)14-18(17)2)22-10-9-19-7-5-6-8-20(19)15-22;/h5-10,13-15H,11-12,16H2,1-4H3;1H
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| InChIKey |
RJCAWBGUPBDGOR-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