General Information of the Compound
| Compound ID |
CP0475434
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| Compound Name |
2-[(2,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H12F2N2O3S
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| Molecular Weight |
362.357
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| Canonical SMILES |
Fc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c(F)c1
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| InChI |
InChI=1S/C17H12F2N2O3S/c18-12-3-1-11(13(19)8-12)9-25-17-21-20-16(24-17)10-2-4-14-15(7-10)23-6-5-22-14/h1-4,7-8H,5-6,9H2
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| InChIKey |
IJOKOKLRFXBXIG-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