General Information of the Compound
| Compound ID |
CP0442211
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| Compound Name |
2-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
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| Structure |
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| Formula |
C17H21NO
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| Molecular Weight |
255.361
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| Canonical SMILES |
Cc1cc(C)cc(COc2ccc(CCN)cc2)c1
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| InChI |
InChI=1S/C17H21NO/c1-13-9-14(2)11-16(10-13)12-19-17-5-3-15(4-6-17)7-8-18/h3-6,9-11H,7-8,12,18H2,1-2H3
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| InChIKey |
XYTZWTMRMMCVOJ-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
Protein ID: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1