General Information of the Compound
| Compound ID |
CP0044893
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| Compound Name |
((pyridin-4-yl)ethyl)quinoline 8
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| Structure |
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| Formula |
C25H18F3N5O
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| Molecular Weight |
461.447
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nnc(o2)-c2cc3ccccc3nc2CCc2ccncc2)c1
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| InChI |
InChI=1S/C25H18F3N5O/c26-25(27,28)18-5-3-6-19(15-18)30-24-33-32-23(34-24)20-14-17-4-1-2-7-21(17)31-22(20)9-8-16-10-12-29-13-11-16/h1-7,10-15H,8-9H2,(H,30,33)
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| InChIKey |
JNAFZOJBATVPDU-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