General Information of the Compound
| Compound ID |
CP0439299
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| Compound Name |
4-(3-(4,4-difluoropiperidin-1-yl)propoxy)benzonitrile
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| Structure |
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| Formula |
C15H18F2N2O
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| Molecular Weight |
280.318
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| Canonical SMILES |
FC1(F)CCN(CCCOc2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C15H18F2N2O/c16-15(17)6-9-19(10-7-15)8-1-11-20-14-4-2-13(12-18)3-5-14/h2-5H,1,6-11H2
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| InChIKey |
GZZBDVWTYWARQK-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