General Information of the Compound
| Compound ID |
CP0397756
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| Compound Name |
4-chloro-N-[1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
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| Structure |
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| Formula |
C19H21ClN4O2S
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| Molecular Weight |
404.923
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| Canonical SMILES |
CCn1c(C)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H21ClN4O2S/c1-3-24-14(2)21-22-19(24)18(13-15-7-5-4-6-8-15)23-27(25,26)17-11-9-16(20)10-12-17/h4-12,18,23H,3,13H2,1-2H3
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| InChIKey |
KRTPZNHXSCQQCQ-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