General Information of the Compound
| Compound ID |
CP0046077
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| Compound Name |
((pyridin-4-yl)ethyl)pyridine 33
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| Structure |
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| Formula |
C21H16F3N5O
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| Molecular Weight |
411.387
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nnc(o2)-c2cnccc2CCc2ccncc2)cc1
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| InChI |
InChI=1S/C21H16F3N5O/c22-21(23,24)16-3-5-17(6-4-16)27-20-29-28-19(30-20)18-13-26-12-9-15(18)2-1-14-7-10-25-11-8-14/h3-13H,1-2H2,(H,27,29)
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| InChIKey |
MXLIRSGXXHLKRD-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