General Information of the Compound
| Compound ID |
CP0428981
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| Compound Name |
5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
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| Structure |
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| Formula |
C18H17ClFN5O2
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| Molecular Weight |
389.818
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| Canonical SMILES |
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccc(F)cc1Cl
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| InChI |
InChI=1S/C18H17ClFN5O2/c1-11-22-23-18(25(11)13-4-6-17(26-2)21-8-13)24-9-14(10-24)27-16-5-3-12(20)7-15(16)19/h3-8,14H,9-10H2,1-2H3
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| InChIKey |
MJXVEMJWXWSIKH-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