General Information of the Compound
| Compound ID |
CP0382543
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| Compound Name |
2-[3-cyano-4,5-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)furan-2-ylidene]propanedinitrile
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| Structure |
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| Formula |
C16H6F5N3O
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| Molecular Weight |
351.234
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| Canonical SMILES |
CC1=C(C#N)C(OC1(C)c1c(F)c(F)c(F)c(F)c1F)=C(C#N)C#N
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| InChI |
InChI=1S/C16H6F5N3O/c1-6-8(5-24)15(7(3-22)4-23)25-16(6,2)9-10(17)12(19)14(21)13(20)11(9)18/h1-2H3
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| InChIKey |
MOVULYMBQQUVIX-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