General Information of the Compound
| Compound ID |
CP0386436
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| Compound Name |
4-cyano-N-[(2-fluorophenyl)methyl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H17FN6O2S
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| Molecular Weight |
448.483
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| Canonical SMILES |
Fc1ccccc1CN(Cc1ccc(cc1)-c1nnn[nH]1)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H17FN6O2S/c23-21-4-2-1-3-19(21)15-29(32(30,31)20-11-7-16(13-24)8-12-20)14-17-5-9-18(10-6-17)22-25-27-28-26-22/h1-12H,14-15H2,(H,25,26,27,28)
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| InChIKey |
MQOFNEZESUYYEN-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