General Information of the Compound
| Compound ID |
CP0169837
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| Compound Name |
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-methylsulfonylphenyl)methyl]propanamide
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| Structure |
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| Formula |
C18H18FN5O3S
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| Molecular Weight |
403.439
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| Canonical SMILES |
CCC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C18H18FN5O3S/c1-3-17(25)24(11-12-4-6-16(7-5-12)28(2,26)27)15-9-13(8-14(19)10-15)18-20-22-23-21-18/h4-10H,3,11H2,1-2H3,(H,20,21,22,23)
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| InChIKey |
SQBUZPFUGWFLLW-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