General Information of the Compound
| Compound ID |
CP0508106
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| Compound Name |
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
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| Structure |
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| Formula |
C21H21FN2O4S
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| Molecular Weight |
416.474
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| Canonical SMILES |
COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1
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| InChI |
InChI=1S/C21H21FN2O4S/c1-13-3-4-14(10-17(13)22)9-16-12-23-21(29-16)24-20(26)15-5-6-18(27-2)19(11-15)28-8-7-25/h3-6,10-12,25H,7-9H2,1-2H3,(H,23,24,26)
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| InChIKey |
DYEGEEMFKJLIAG-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