General Information of the Compound
| Compound ID |
CP0427073
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| Compound Name |
2-[(4-chloro-2-methylphenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H12ClF3N2O2
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| Molecular Weight |
368.742
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| Canonical SMILES |
Cc1cc(Cl)ccc1OCc1nnc(o1)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C17H12ClF3N2O2/c1-10-8-11(18)6-7-14(10)24-9-15-22-23-16(25-15)12-4-2-3-5-13(12)17(19,20)21/h2-8H,9H2,1H3
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| InChIKey |
XGMAIRCMEBWJBQ-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