General Information of the Compound
| Compound ID |
CP0504703
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| Compound Name |
4-chloro-N-[1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C13H17ClN4O2S
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| Molecular Weight |
328.825
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| Canonical SMILES |
CCn1c(C)nnc1C(C)NS(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C13H17ClN4O2S/c1-4-18-10(3)15-16-13(18)9(2)17-21(19,20)12-7-5-11(14)6-8-12/h5-9,17H,4H2,1-3H3
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| InChIKey |
ABBCTFWLQPQNKP-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