General Information of the Compound
| Compound ID |
CP0510662
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| Compound Name |
4-bromo-5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C12H9BrN2O
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| Molecular Weight |
277.121
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| Canonical SMILES |
Cn1c(cc(Br)c1-c1ccc(O)cc1)C#N
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| InChI |
InChI=1S/C12H9BrN2O/c1-15-9(7-14)6-11(13)12(15)8-2-4-10(16)5-3-8/h2-6,16H,1H3
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| InChIKey |
DJBFQNGXQMAWCW-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