General Information of the Compound
| Compound ID |
CP0392182
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| Compound Name |
1-(cyanomethyl)-5-(2-fluoro-4-hydroxyphenyl)pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C13H8FN3O
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| Molecular Weight |
241.225
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| Canonical SMILES |
Oc1ccc(-c2ccc(C#N)n2CC#N)c(F)c1
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| InChI |
InChI=1S/C13H8FN3O/c14-12-7-10(18)2-3-11(12)13-4-1-9(8-16)17(13)6-5-15/h1-4,7,18H,6H2
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| InChIKey |
MCCZTTXTERBUFF-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