General Information of the Compound
| Compound ID |
CP0538213
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| Compound Name |
(2R)-2-amino-3-[5-chloro-4-[5-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]propan-1-ol
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| Structure |
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| Formula |
C19H19Cl2FN4O3S
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| Molecular Weight |
473.357
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| Canonical SMILES |
CC(C)Oc1ncc(cc1Cl)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl
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| InChI |
InChI=1S/C19H19Cl2FN4O3S/c1-9(2)29-17-14(21)3-10(6-24-17)18-25-26-19(30-18)12-4-15(22)16(5-13(12)20)28-8-11(23)7-27/h3-6,9,11,27H,7-8,23H2,1-2H3/t11-/m1/s1
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| InChIKey |
XOSPOLJJWGBMHU-LLVKDONJSA-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