General Information of the Compound
| Compound ID |
CP0468788
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| Compound Name |
5-(4-hydroxy-2,3-dimethylphenyl)-1-methylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C14H14N2O
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| Molecular Weight |
226.279
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| Canonical SMILES |
Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
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| InChI |
InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
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| InChIKey |
IITPEARHXAJQIU-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