General Information of the Compound
| Compound ID |
CP0864983
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| Compound Name |
3-(2-Dimethylaminoethyl)-6,7-dimethyl-3-(2-naphthyl)isochromane HCl
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| Structure |
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| Formula |
C25H30ClNO
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| Molecular Weight |
395.974
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| Canonical SMILES |
Cc1cc2c(cc1C)CC(CCN(C)C)(c1ccc3ccccc3c1)OC2.Cl
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| InChI |
InChI=1S/C25H29NO.ClH/c1-18-13-22-16-25(11-12-26(3)4,27-17-23(22)14-19(18)2)24-10-9-20-7-5-6-8-21(20)15-24;/h5-10,13-15H,11-12,16-17H2,1-4H3;1H
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| InChIKey |
RSZUMIDUHZZLMA-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