General Information of the Compound
| Compound ID |
CP0459327
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| Compound Name |
2-[(3-chlorophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H13ClN2O3S
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| Molecular Weight |
360.822
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| Canonical SMILES |
Clc1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1
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| InChI |
InChI=1S/C17H13ClN2O3S/c18-13-3-1-2-11(8-13)10-24-17-20-19-16(23-17)12-4-5-14-15(9-12)22-7-6-21-14/h1-5,8-9H,6-7,10H2
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| InChIKey |
HKQXGYSSFIQKQG-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