General Information of the Compound
| Compound ID |
CP0154872
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| Compound Name |
((pyridin-4-yl)ethyl)pyridine 20
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| Structure |
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| Formula |
C23H23N5O
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| Molecular Weight |
385.471
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| Canonical SMILES |
CC(C)c1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1
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| InChI |
InChI=1S/C23H23N5O/c1-16(2)18-6-8-19(9-7-18)26-23-28-27-22(29-23)20-4-3-13-25-21(20)10-5-17-11-14-24-15-12-17/h3-4,6-9,11-16H,5,10H2,1-2H3,(H,26,28)
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| InChIKey |
ZNQQUMQUMMSXHR-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