General Information of the Compound
| Compound ID |
CP0402518
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| Compound Name |
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
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| Structure |
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| Formula |
C17H15F6NO
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| Molecular Weight |
363.301
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| Canonical SMILES |
NC(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C17H15F6NO/c18-16(19,20)13-6-11(7-14(8-13)17(21,22)23)9-25-10-15(24)12-4-2-1-3-5-12/h1-8,15H,9-10,24H2
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| InChIKey |
UYZIPLMTFSGKAJ-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