General Information of the Compound
| Compound ID |
CP0045485
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| Compound Name |
4-{[2-(4-Bromo-2,5-dimethoxy-phenyl)-ethylamino]-methyl}-phenylamine
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| Structure |
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| Formula |
C17H21BrN2O2
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| Molecular Weight |
365.271
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| Canonical SMILES |
COc1cc(CCNCc2ccc(N)cc2)c(OC)cc1Br
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| InChI |
InChI=1S/C17H21BrN2O2/c1-21-16-10-15(18)17(22-2)9-13(16)7-8-20-11-12-3-5-14(19)6-4-12/h3-6,9-10,20H,7-8,11,19H2,1-2H3
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| InChIKey |
APPULWQRPHJFSV-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