General Information of the Compound
| Compound ID |
CP0162780
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| Compound Name |
N-(4-bromophenyl)-3-[3-(hydroxymethyl)anilino]butanamide
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| Structure |
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| Formula |
C17H19BrN2O2
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| Molecular Weight |
363.255
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| Canonical SMILES |
CC(CC(=O)Nc1ccc(Br)cc1)Nc1cccc(CO)c1
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| InChI |
InChI=1S/C17H19BrN2O2/c1-12(19-16-4-2-3-13(10-16)11-21)9-17(22)20-15-7-5-14(18)6-8-15/h2-8,10,12,19,21H,9,11H2,1H3,(H,20,22)
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| InChIKey |
SJKBMMLITPFUFV-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