General Information of the Compound
| Compound ID |
CP0046080
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| Compound Name |
((indazole)ethyl)pyridine 14
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| Structure |
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| Formula |
C23H17F3N6O
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| Molecular Weight |
450.424
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccc3[nH]ncc3c2)c1
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| InChI |
InChI=1S/C23H17F3N6O/c24-23(25,26)16-3-1-4-17(12-16)29-22-32-31-21(33-22)18-5-2-10-27-20(18)9-7-14-6-8-19-15(11-14)13-28-30-19/h1-6,8,10-13H,7,9H2,(H,28,30)(H,29,32)
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| InChIKey |
XOXQAJUYKVJJCP-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