General Information of the Compound
| Compound ID |
CP0263122
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| Compound Name |
1-(6-bromonaphthalen-2-yl)oxy-3-[methyl(prop-2-ynyl)amino]propan-2-ol
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| Structure |
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| Formula |
C17H18BrNO2
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| Molecular Weight |
348.24
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| Canonical SMILES |
CN(CC#C)CC(O)COc1ccc2cc(Br)ccc2c1
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| InChI |
InChI=1S/C17H18BrNO2/c1-3-8-19(2)11-16(20)12-21-17-7-5-13-9-15(18)6-4-14(13)10-17/h1,4-7,9-10,16,20H,8,11-12H2,2H3
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| InChIKey |
XXXUGMIEXMVXDP-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