General Information of the Compound
| Compound ID |
CP0468614
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| Compound Name |
4-chloro-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C20H17ClN6O2S
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| Molecular Weight |
440.916
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1nnn[nH]1)Cc1ccccn1
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| InChI |
InChI=1S/C20H17ClN6O2S/c21-17-8-10-19(11-9-17)30(28,29)27(14-18-3-1-2-12-22-18)13-15-4-6-16(7-5-15)20-23-25-26-24-20/h1-12H,13-14H2,(H,23,24,25,26)
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| InChIKey |
WJFIRXSNUDJHDD-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