General Information of the Compound
| Compound ID |
CP0022559
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| Compound Name |
5-Bromo-3-(5-bromo-6-hydroxy-2'-methoxy-biphenyl-3-ylmethylene)-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-one
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| Structure |
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| Formula |
C21H14Br2N2O3
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| Molecular Weight |
502.162
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| Canonical SMILES |
COc1ccccc1-c1cc(\C=C2/C(=O)Nc3ncc(Br)cc23)cc(Br)c1O
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| InChI |
InChI=1S/C21H14Br2N2O3/c1-28-18-5-3-2-4-13(18)14-6-11(8-17(23)19(14)26)7-16-15-9-12(22)10-24-20(15)25-21(16)27/h2-10,26H,1H3,(H,24,25,27)/b16-7-
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| InChIKey |
RIJBDOXTEPVDPJ-APSNUPSMSA-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