General Information of the Compound
| Compound ID |
CP0569217
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| Compound Name |
1-[(4-chlorophenyl)-(5-pent-2-ynoxy-1-benzofuran-2-yl)methyl]-1,2,4-triazole
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| Structure |
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| Formula |
C22H18ClN3O2
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| Molecular Weight |
391.858
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| Canonical SMILES |
CCC#CCOc1ccc2oc(cc2c1)C(c1ccc(Cl)cc1)n1cncn1
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| InChI |
InChI=1S/C22H18ClN3O2/c1-2-3-4-11-27-19-9-10-20-17(12-19)13-21(28-20)22(26-15-24-14-25-26)16-5-7-18(23)8-6-16/h5-10,12-15,22H,2,11H2,1H3
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| InChIKey |
BPVWNWWPDBWOAB-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