General Information of the Compound
| Compound ID |
CP0451383
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| Compound Name |
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C19H18N2O6
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| Molecular Weight |
370.361
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nnc(o1)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C19H18N2O6/c1-22-15-9-12(10-16(23-2)17(15)24-3)19-21-20-18(27-19)11-4-5-13-14(8-11)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3
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| InChIKey |
VJVNWOXVWGOQNF-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