General Information of the Compound
| Compound ID |
CP0534314
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| Compound Name |
5-[5-[4-[(2R)-2-amino-3-hydroxypropoxy]-2-chloro-5-fluorophenyl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxypyridine-3-carbonitrile
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| Structure |
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| Formula |
C20H19ClFN5O3S
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| Molecular Weight |
463.922
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| Canonical SMILES |
CC(C)Oc1ncc(cc1C#N)-c1nnc(s1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl
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| InChI |
InChI=1S/C20H19ClFN5O3S/c1-10(2)30-18-11(6-23)3-12(7-25-18)19-26-27-20(31-19)14-4-16(22)17(5-15(14)21)29-9-13(24)8-28/h3-5,7,10,13,28H,8-9,24H2,1-2H3/t13-/m1/s1
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| InChIKey |
CVLFGPKKERVLBO-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