General Information of the Compound
| Compound ID |
CP0438833
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| Compound Name |
4-cyano-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H17N7O2S
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| Molecular Weight |
431.481
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| Canonical SMILES |
O=S(=O)(N(Cc1ccc(cc1)-c1nnn[nH]1)Cc1ccccn1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H17N7O2S/c22-13-16-6-10-20(11-7-16)31(29,30)28(15-19-3-1-2-12-23-19)14-17-4-8-18(9-5-17)21-24-26-27-25-21/h1-12H,14-15H2,(H,24,25,26,27)
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| InChIKey |
MDPYEUFAVOXCJE-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