General Information of the Compound
| Compound ID |
CP0547530
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| Compound Name |
2-[(4-chloro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C16H12ClFN2O2
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| Molecular Weight |
318.735
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| Canonical SMILES |
Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1
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| InChI |
InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3
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| InChIKey |
DJMFDCAWHOECHU-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
Protein ID: PT06716, Anoctamin-1
Protein ID: PT06826, Anoctamin-2