General Information of the Compound
| Compound ID |
CP0455261
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| Compound Name |
N-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
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| Structure |
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| Formula |
C21H18F4N2O4S
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| Molecular Weight |
470.444
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| Canonical SMILES |
COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(c2)C(F)(F)F)s1
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| InChI |
InChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)
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| InChIKey |
NGSCVSATAUBCPA-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