General Information of the Compound
| Compound ID |
CP0422557
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| Compound Name |
N-[(2-bromophenyl)methyl]-4-chloro-3-[2-(dimethylamino)ethoxy]aniline
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| Structure |
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| Formula |
C17H20BrClN2O
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| Molecular Weight |
383.717
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| Canonical SMILES |
CN(C)CCOc1cc(NCc2ccccc2Br)ccc1Cl
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| InChI |
InChI=1S/C17H20BrClN2O/c1-21(2)9-10-22-17-11-14(7-8-16(17)19)20-12-13-5-3-4-6-15(13)18/h3-8,11,20H,9-10,12H2,1-2H3
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| InChIKey |
YSMFBVKWVPHMJG-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