General Information of the Compound
| Compound ID |
CP0382545
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| Compound Name |
2-[5-(4-butylphenyl)-3-cyano-4,5-dimethylfuran-2-ylidene]propanedinitrile
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| Structure |
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| Formula |
C20H19N3O
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| Molecular Weight |
317.392
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| Canonical SMILES |
CCCCc1ccc(cc1)C1(C)OC(=C(C#N)C#N)C(C#N)=C1C
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| InChI |
InChI=1S/C20H19N3O/c1-4-5-6-15-7-9-17(10-8-15)20(3)14(2)18(13-23)19(24-20)16(11-21)12-22/h7-10H,4-6H2,1-3H3
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| InChIKey |
FOFCIIMDQXFVOK-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