General Information of the Compound
| Compound ID |
CP0070665
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| Compound Name |
(+/-)-2-Chloro-6-([3-((1,1-dimethyl-2-[4-(methyloxy)phenyl]ethyl)-amino)-2-hydroxypropyl]oxy)benzonitrile
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| Structure |
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| Formula |
C21H25ClN2O3
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| Molecular Weight |
388.895
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| Canonical SMILES |
COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2C#N)cc1
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| InChI |
InChI=1S/C21H25ClN2O3/c1-21(2,11-15-7-9-17(26-3)10-8-15)24-13-16(25)14-27-20-6-4-5-19(22)18(20)12-23/h4-10,16,24-25H,11,13-14H2,1-3H3
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| InChIKey |
MVYOBBWPCHPRSG-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