General Information of the Compound
| Compound ID |
CP0152973
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| Compound Name |
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-ethylethanamine
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| Structure |
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| Formula |
C18H21BrClNO
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| Molecular Weight |
382.729
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| Canonical SMILES |
CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H21BrClNO/c1-3-21(4-2)12-15-11-16(19)7-10-18(15)22-13-14-5-8-17(20)9-6-14/h5-11H,3-4,12-13H2,1-2H3
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| InChIKey |
WVXRYEWVSGIEJA-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