General Information of the Compound
| Compound ID |
CP0420186
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| Compound Name |
N-[2-chloro-4-[[N-ethyl-C-(4-ethyl-3,4-dihydropyrazol-2-yl)carbonimidoyl]sulfamoyl]phenyl]acetamide
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| Structure |
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| Formula |
C16H22ClN5O3S
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| Molecular Weight |
399.904
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| Canonical SMILES |
CCN\C(=N/S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)N1CC(CC)C=N1
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| InChI |
InChI=1S/C16H22ClN5O3S/c1-4-12-9-19-22(10-12)16(18-5-2)21-26(24,25)13-6-7-15(14(17)8-13)20-11(3)23/h6-9,12H,4-5,10H2,1-3H3,(H,18,21)(H,20,23)
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| InChIKey |
MLRBKHVARDFTHF-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