General Information of the Compound
| Compound ID |
CP0569987
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| Compound Name |
4-[(6-pent-2-ynoxy-1-benzofuran-2-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
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| Structure |
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| Formula |
C23H18N4O2
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| Molecular Weight |
382.423
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| Canonical SMILES |
CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
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| InChI |
InChI=1S/C23H18N4O2/c1-2-3-4-11-28-20-10-9-19-12-22(29-21(19)13-20)23(27-16-25-15-26-27)18-7-5-17(14-24)6-8-18/h5-10,12-13,15-16,23H,2,11H2,1H3
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| InChIKey |
YPEJCSUYWBPALH-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