General Information of the Compound
| Compound ID |
CP0398576
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| Compound Name |
4-chloro-N-[1-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
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| Structure |
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| Formula |
C20H21ClN4O2S2
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| Molecular Weight |
449.001
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| Canonical SMILES |
Cn1c(SCC=C)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H21ClN4O2S2/c1-3-13-28-20-23-22-19(25(20)2)18(14-15-7-5-4-6-8-15)24-29(26,27)17-11-9-16(21)10-12-17/h3-12,18,24H,1,13-14H2,2H3
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| InChIKey |
XNMRNPKDOPOZBB-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