General Information of the Compound
| Compound ID |
CP0086668
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| Compound Name |
(+/-)-2-([3-((1,1-Dimethyl-2-[4-(methyloxy)phenyl]ethyl)amino)-2-hydroxypropyl]oxy)benzonitrile
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| Structure |
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| Formula |
C21H26N2O3
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| Molecular Weight |
354.45
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| Canonical SMILES |
COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1
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| InChI |
InChI=1S/C21H26N2O3/c1-21(2,12-16-8-10-19(25-3)11-9-16)23-14-18(24)15-26-20-7-5-4-6-17(20)13-22/h4-11,18,23-24H,12,14-15H2,1-3H3
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| InChIKey |
KCCUCFUQSYGPBH-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