General Information of the Compound
| Compound ID |
CP0161222
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| Compound Name |
((pyridin-4-yl)ethyl)pyridine 38
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| Structure |
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| Formula |
C21H19N5O2
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| Molecular Weight |
373.416
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| Canonical SMILES |
COc1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)c1
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| InChI |
InChI=1S/C21H19N5O2/c1-27-17-5-2-4-16(14-17)24-21-26-25-20(28-21)18-6-3-11-23-19(18)8-7-15-9-12-22-13-10-15/h2-6,9-14H,7-8H2,1H3,(H,24,26)
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| InChIKey |
TUTUPBQGHHAXFQ-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