General Information of the Compound
| Compound ID |
CP0548348
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| Compound Name |
3-[3-[benzyl(methyl)amino]propyl]-6-bromo-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C18H19BrN2O2
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| Molecular Weight |
375.266
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| Canonical SMILES |
CN(CCCn1c2ccc(Br)cc2oc1=O)Cc1ccccc1
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| InChI |
InChI=1S/C18H19BrN2O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-9-8-15(19)12-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
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| InChIKey |
KAULZNSNZJULGS-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