General Information of the Compound
| Compound ID |
CP0463355
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| Compound Name |
5-(4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C12H10N2O
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| Molecular Weight |
198.225
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| Canonical SMILES |
Cn1c(ccc1-c1ccc(O)cc1)C#N
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| InChI |
InChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3
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| InChIKey |
JNFBIQLNLGEUPP-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