General Information of the Compound
| Compound ID |
CP0167002
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| Compound Name |
1-[(4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)methyl]-1H-1,2,4-triazole
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| Structure |
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| Formula |
C18H14ClN3O2
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| Molecular Weight |
339.782
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| Canonical SMILES |
COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
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| InChI |
InChI=1S/C18H14ClN3O2/c1-23-15-7-4-13-8-17(24-16(13)9-15)18(22-11-20-10-21-22)12-2-5-14(19)6-3-12/h2-11,18H,1H3
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| InChIKey |
NSSXLAQTZVKYHU-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