General Information of the Compound
| Compound ID |
CP0948156
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| Compound Name |
2-(3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)prop-1-en-2-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C15H9F6N5O
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| Molecular Weight |
389.259
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| Canonical SMILES |
C=C(Cn1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1nnco1
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| InChI |
InChI=1S/C15H9F6N5O/c1-8(13-24-23-7-27-13)5-26-6-22-12(25-26)9-2-10(14(16,17)18)4-11(3-9)15(19,20)21/h2-4,6-7H,1,5H2
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| InChIKey |
BOOOHJVQKQQDNR-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