General Information of the Compound
| Compound ID |
CP0576871
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| Compound Name |
4-[(6-Hydroxybenzofuran-2-yl)-[1,2,4]triazol-1-ylmethyl]benzonitrile
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| Structure |
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| Formula |
C18H12N4O2
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| Molecular Weight |
316.32
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| Canonical SMILES |
Oc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
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| InChI |
InChI=1S/C18H12N4O2/c19-9-12-1-3-13(4-2-12)18(22-11-20-10-21-22)17-7-14-5-6-15(23)8-16(14)24-17/h1-8,10-11,18,23H
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| InChIKey |
IWSMNDKZZWPLBT-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