General Information of the Compound
| Compound ID |
CP0198306
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| Compound Name |
((pyridin-4-yl)ethyl)pyridine 43
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| Structure |
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| Formula |
C22H18F3N5O
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| Molecular Weight |
425.414
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| Canonical SMILES |
Cc1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H18F3N5O/c1-14-4-6-16(13-18(14)22(23,24)25)28-21-30-29-20(31-21)17-3-2-10-27-19(17)7-5-15-8-11-26-12-9-15/h2-4,6,8-13H,5,7H2,1H3,(H,28,30)
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| InChIKey |
TXKJCQVOEAMXER-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