General Information of the Compound
| Compound ID |
CP0509733
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| Compound Name |
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-methylsulfonylphenyl)methyl]oxane-4-carboxamide
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| Structure |
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| Formula |
C21H22FN5O4S
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| Molecular Weight |
459.503
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CN(C(=O)C2CCOCC2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1
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| InChI |
InChI=1S/C21H22FN5O4S/c1-32(29,30)19-4-2-14(3-5-19)13-27(21(28)15-6-8-31-9-7-15)18-11-16(10-17(22)12-18)20-23-25-26-24-20/h2-5,10-12,15H,6-9,13H2,1H3,(H,23,24,25,26)
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| InChIKey |
ZYKRPULULGFOKH-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