General Information of the Compound
| Compound ID |
CP0547508
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| Compound Name |
N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]pyridin-2-yl]-2,4,6-trifluorobenzamide
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| Structure |
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| Formula |
C20H19F4N3O
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| Molecular Weight |
393.384
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| Canonical SMILES |
CCN1CCC(CC1)=C(F)c1cccc(NC(=O)c2c(F)cc(F)cc2F)n1
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| InChI |
InChI=1S/C20H19F4N3O/c1-2-27-8-6-12(7-9-27)19(24)16-4-3-5-17(25-16)26-20(28)18-14(22)10-13(21)11-15(18)23/h3-5,10-11H,2,6-9H2,1H3,(H,25,26,28)
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| InChIKey |
MMRUBCPRVFSXPS-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