General Information of the Compound
| Compound ID |
CP0539773
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| Compound Name |
1-(3,5-Dimethyl-benzyloxymethyl)-2-phenyl-ethylamine
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| Structure |
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| Formula |
C18H23NO
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| Molecular Weight |
269.388
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| Canonical SMILES |
Cc1cc(C)cc(COCC(N)Cc2ccccc2)c1
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| InChI |
InChI=1S/C18H23NO/c1-14-8-15(2)10-17(9-14)12-20-13-18(19)11-16-6-4-3-5-7-16/h3-10,18H,11-13,19H2,1-2H3
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| InChIKey |
DZQBGZPXSVUSTJ-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