General Information of the Compound
| Compound ID |
CP0059642
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| Compound Name |
N-[(3-cyclopropylphenyl)methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
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| Structure |
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| Formula |
C21H27NO2
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| Molecular Weight |
325.452
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| Canonical SMILES |
CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1CC1
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| InChI |
InChI=1S/C21H27NO2/c1-16(2)24-21-9-4-3-8-20(21)23-13-12-22-15-17-6-5-7-19(14-17)18-10-11-18/h3-9,14,16,18,22H,10-13,15H2,1-2H3
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| InChIKey |
HAZWYJQEUAUPHQ-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