General Information of the Compound
| Compound ID |
CP0401506
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| Compound Name |
4-chloro-N-[(4-methoxyphenyl)methyl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H20ClN5O3S
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| Molecular Weight |
469.954
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| Canonical SMILES |
COc1ccc(CN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C22H20ClN5O3S/c1-31-20-10-4-17(5-11-20)15-28(32(29,30)21-12-8-19(23)9-13-21)14-16-2-6-18(7-3-16)22-24-26-27-25-22/h2-13H,14-15H2,1H3,(H,24,25,26,27)
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| InChIKey |
FBAYADNKOSZSNU-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