General Information of the Compound
| Compound ID |
CP0545031
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| Compound Name |
(2R)-2-amino-3-[5-chloro-2-fluoro-4-[5-(6-methyl-5-propan-2-yloxypyridin-2-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)Oc1ccc(nc1C)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl
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| InChI |
InChI=1S/C20H22ClFN4O3S/c1-10(2)29-17-5-4-16(24-11(17)3)20-26-25-19(30-20)13-6-15(22)18(7-14(13)21)28-9-12(23)8-27/h4-7,10,12,27H,8-9,23H2,1-3H3/t12-/m1/s1
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| InChIKey |
VSZWZBBMPUUEED-GFCCVEGCSA-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