General Information of the Compound
| Compound ID |
CP0431546
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| Compound Name |
3-(2-chloro-4-fluorophenoxy)-8-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-8-azabicyclo[3.2.1]octane
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| Structure |
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| Formula |
C23H25ClFN5O3
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| Molecular Weight |
473.936
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| Canonical SMILES |
COCc1nnc(N2C3CCC2CC(C3)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
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| InChI |
InChI=1S/C23H25ClFN5O3/c1-31-13-21-27-28-23(30(21)17-6-8-22(32-2)26-12-17)29-15-4-5-16(29)11-18(10-15)33-20-7-3-14(25)9-19(20)24/h3,6-9,12,15-16,18H,4-5,10-11,13H2,1-2H3
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| InChIKey |
OEBYNIJDIHVLDB-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