General Information of the Compound
| Compound ID |
CP0524559
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| Compound Name |
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C18H14N2O3
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| Molecular Weight |
306.321
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| Canonical SMILES |
C1COc2cc(ccc2O1)-c1nnc(\C=C\c2ccccc2)o1
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| InChI |
InChI=1S/C18H14N2O3/c1-2-4-13(5-3-1)6-9-17-19-20-18(23-17)14-7-8-15-16(12-14)22-11-10-21-15/h1-9,12H,10-11H2/b9-6+
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| InChIKey |
JMZPOQKXFUVCCN-RMKNXTFCSA-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