General Information of the Compound
| Compound ID |
CP0372028
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| Compound Name |
5-(4-(hydroxy(phenyl)methyl)phenyl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C19H16N2O
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| Molecular Weight |
288.35
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| Canonical SMILES |
Cn1c(ccc1-c1ccc(cc1)C(O)c1ccccc1)C#N
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| InChI |
InChI=1S/C19H16N2O/c1-21-17(13-20)11-12-18(21)14-7-9-16(10-8-14)19(22)15-5-3-2-4-6-15/h2-12,19,22H,1H3
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| InChIKey |
MPEVMKMVFAFHQA-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