General Information of the Compound
| Compound ID |
CP0388888
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| Compound Name |
N-[1-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-chlorobenzenesulfonamide
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| Structure |
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| Formula |
C24H23ClN4O2S
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| Molecular Weight |
466.994
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| Canonical SMILES |
Cc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1Cc1ccccc1
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| InChI |
InChI=1S/C24H23ClN4O2S/c1-18-26-27-24(29(18)17-20-10-6-3-7-11-20)23(16-19-8-4-2-5-9-19)28-32(30,31)22-14-12-21(25)13-15-22/h2-15,23,28H,16-17H2,1H3
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| InChIKey |
MSOGCVMRLMLMJS-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