General Information of the Compound
| Compound ID |
CP0577489
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| Compound Name |
2-[(4-Chlorophenyl)-[1,2,4]triazol-1-ylmethyl]benzofuran-6-ol
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| Structure |
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| Formula |
C17H12ClN3O2
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| Molecular Weight |
325.755
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| Canonical SMILES |
Oc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
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| InChI |
InChI=1S/C17H12ClN3O2/c18-13-4-1-11(2-5-13)17(21-10-19-9-20-21)16-7-12-3-6-14(22)8-15(12)23-16/h1-10,17,22H
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| InChIKey |
GYGANQZOGPUYJF-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