General Information of the Compound
| Compound ID |
CP0482533
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| Compound Name |
5-(2-cyano-4-hydroxyphenyl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C13H9N3O
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| Molecular Weight |
223.235
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| Canonical SMILES |
Cn1c(ccc1-c1ccc(O)cc1C#N)C#N
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| InChI |
InChI=1S/C13H9N3O/c1-16-10(8-15)2-5-13(16)12-4-3-11(17)6-9(12)7-14/h2-6,17H,1H3
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| InChIKey |
QUCZEJFPUIVCKW-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