General Information of the Compound
| Compound ID |
CP0463752
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| Compound Name |
5-(3-(3-(3,5-difluoro-2-methylphenoxy)azetidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
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| Structure |
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| Formula |
C19H19F2N5O2
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| Molecular Weight |
387.39
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| Canonical SMILES |
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1cc(F)cc(F)c1C
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| InChI |
InChI=1S/C19H19F2N5O2/c1-11-16(21)6-13(20)7-17(11)28-15-9-25(10-15)19-24-23-12(2)26(19)14-4-5-18(27-3)22-8-14/h4-8,15H,9-10H2,1-3H3
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| InChIKey |
KZBKKNGFZWHZPZ-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