General Information of the Compound
| Compound ID |
CP0947256
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| Compound Name |
2-{1-[2-(4-Fluoro-1H-1,3-benzodiazol-2-yl)ethyl]azetidin-3-yl}-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C21H20FN7O2
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| Molecular Weight |
421.436
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| Canonical SMILES |
O=C(NCc1cccnn1)c1coc(C2CN(CCc3nc4c(F)cccc4[nH]3)C2)n1
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| InChI |
InChI=1S/C21H20FN7O2/c22-15-4-1-5-16-19(15)27-18(25-16)6-8-29-10-13(11-29)21-26-17(12-31-21)20(30)23-9-14-3-2-7-24-28-14/h1-5,7,12-13H,6,8-11H2,(H,23,30)(H,25,27)
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| InChIKey |
MTOGOEJAMVEPHQ-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