General Information of the Compound
| Compound ID |
CP0009747
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| Compound Name |
5-benzyl-9-bromopaullone
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| Structure |
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| Formula |
C23H17BrN2O
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| Molecular Weight |
417.306
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| Canonical SMILES |
Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
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| InChI |
InChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2
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| InChIKey |
HMNQLGPAVMICRU-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