General Information of the Compound
| Compound ID |
CP0864985
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| Compound Name |
3-(3,5-Dimethoxyphenyl)-6,7-dimethyl-3-(2-dimethylaminoethyl)isochroman-1-one HCl
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| Structure |
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| Formula |
C23H30ClNO4
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| Molecular Weight |
419.949
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| Canonical SMILES |
COc1cc(OC)cc(C2(CCN(C)C)Cc3cc(C)c(C)cc3C(=O)O2)c1.Cl
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| InChI |
InChI=1S/C23H29NO4.ClH/c1-15-9-17-14-23(7-8-24(3)4,28-22(25)21(17)10-16(15)2)18-11-19(26-5)13-20(12-18)27-6;/h9-13H,7-8,14H2,1-6H3;1H
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| InChIKey |
KTNPNHYXGAZTRS-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