General Information of the Compound
| Compound ID |
CP0571010
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| Compound Name |
1-[(4-chlorophenyl)-(6-prop-2-ynoxy-1-benzofuran-2-yl)methyl]-1,2,4-triazole
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| Structure |
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| Formula |
C20H14ClN3O2
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| Molecular Weight |
363.804
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| Canonical SMILES |
Clc1ccc(cc1)C(c1cc2ccc(OCC#C)cc2o1)n1cncn1
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| InChI |
InChI=1S/C20H14ClN3O2/c1-2-9-25-17-8-5-15-10-19(26-18(15)11-17)20(24-13-22-12-23-24)14-3-6-16(21)7-4-14/h1,3-8,10-13,20H,9H2
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| InChIKey |
YOKLTDQQIVMQHB-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