General Information of the Compound
| Compound ID |
CP0443453
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| Compound Name |
(+/-)-1-[(2,3-Dichlorophenyl)oxy]-3-[(1,1-dimethyl-2-[4-(methyloxy)-phenyl]ethyl)(methyl)amino]-2-propanol
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| Structure |
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| Formula |
C21H27Cl2NO3
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| Molecular Weight |
412.357
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| Canonical SMILES |
COc1ccc(CC(C)(C)N(C)CC(O)COc2cccc(Cl)c2Cl)cc1
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| InChI |
InChI=1S/C21H27Cl2NO3/c1-21(2,12-15-8-10-17(26-4)11-9-15)24(3)13-16(25)14-27-19-7-5-6-18(22)20(19)23/h5-11,16,25H,12-14H2,1-4H3
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| InChIKey |
NUSLYXWCRDSXTE-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