General Information of the Compound
| Compound ID |
CP0461807
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| Compound Name |
2-benzylsulfanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H14N2O3S
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| Molecular Weight |
326.377
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| Canonical SMILES |
C(Sc1nnc(o1)-c1ccc2OCCOc2c1)c1ccccc1
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| InChI |
InChI=1S/C17H14N2O3S/c1-2-4-12(5-3-1)11-23-17-19-18-16(22-17)13-6-7-14-15(10-13)21-9-8-20-14/h1-7,10H,8-9,11H2
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| InChIKey |
JMRMEWXQQQSRHM-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