General Information of the Compound
| Compound ID |
CP0386435
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| Compound Name |
4-cyano-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-(2-fluorobenzyl)benzenesulfonamide
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| Structure |
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| Formula |
C22H16F2N6O2S
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| Molecular Weight |
466.473
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| Canonical SMILES |
Fc1ccccc1CN(Cc1ccc(-c2nnn[nH]2)c(F)c1)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H16F2N6O2S/c23-20-4-2-1-3-17(20)14-30(33(31,32)18-8-5-15(12-25)6-9-18)13-16-7-10-19(21(24)11-16)22-26-28-29-27-22/h1-11H,13-14H2,(H,26,27,28,29)
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| InChIKey |
AZUDKTWLENPMEO-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