General Information of the Compound
| Compound ID |
CP0335686
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| Compound Name |
N-[[3-(cyclohexen-1-yl)phenyl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
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| Structure |
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| Formula |
C24H31NO2
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| Molecular Weight |
365.517
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| Canonical SMILES |
CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1=CCCCC1
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| InChI |
InChI=1S/C24H31NO2/c1-19(2)27-24-14-7-6-13-23(24)26-16-15-25-18-20-9-8-12-22(17-20)21-10-4-3-5-11-21/h6-10,12-14,17,19,25H,3-5,11,15-16,18H2,1-2H3
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| InChIKey |
DNILKHNIQCTYMS-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