General Information of the Compound
| Compound ID |
CP0501871
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| Compound Name |
N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H19FN6O3S
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| Molecular Weight |
454.487
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(-c2nnn[nH]2)c(F)c1)Cc1ccccn1
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| InChI |
InChI=1S/C21H19FN6O3S/c1-31-17-6-8-18(9-7-17)32(29,30)28(14-16-4-2-3-11-23-16)13-15-5-10-19(20(22)12-15)21-24-26-27-25-21/h2-12H,13-14H2,1H3,(H,24,25,26,27)
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| InChIKey |
CBJBNXDBGFACAG-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