General Information of the Compound
| Compound ID |
CP0571095
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| Compound Name |
1-[(6-but-2-ynoxy-1-benzofuran-2-yl)-(4-chlorophenyl)methyl]-1,2,4-triazole
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| Structure |
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| Formula |
C21H16ClN3O2
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| Molecular Weight |
377.831
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| Canonical SMILES |
CC#CCOc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
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| InChI |
InChI=1S/C21H16ClN3O2/c1-2-3-10-26-18-9-6-16-11-20(27-19(16)12-18)21(25-14-23-13-24-25)15-4-7-17(22)8-5-15/h4-9,11-14,21H,10H2,1H3
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| InChIKey |
ILTKTVOYJMRILO-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