General Information of the Compound
| Compound ID |
CP0407972
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| Compound Name |
(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-(2-methyl-6-propan-2-yloxypyridin-4-yl)-1,3,4-thiadiazol-2-yl]phenoxy]propan-1-ol
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| Structure |
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| Formula |
C20H22ClFN4O3S
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| Molecular Weight |
452.939
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| Canonical SMILES |
CC(C)Oc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl
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| InChI |
InChI=1S/C20H22ClFN4O3S/c1-10(2)29-18-5-12(4-11(3)24-18)19-25-26-20(30-19)14-6-16(22)17(7-15(14)21)28-9-13(23)8-27/h4-7,10,13,27H,8-9,23H2,1-3H3/t13-/m1/s1
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| InChIKey |
OAPXAIALAGVOLO-CYBMUJFWSA-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