General Information of the Compound
| Compound ID |
CP0386434
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| Compound Name |
4-chloro-N-[(2-fluorophenyl)methyl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H17ClFN5O2S
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| Molecular Weight |
457.918
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| Canonical SMILES |
Fc1ccccc1CN(Cc1ccc(cc1)-c1nnn[nH]1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H17ClFN5O2S/c22-18-9-11-19(12-10-18)31(29,30)28(14-17-3-1-2-4-20(17)23)13-15-5-7-16(8-6-15)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27)
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| InChIKey |
OKCKAYRKAGHQPF-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