General Information of the Compound
| Compound ID |
CP0921748
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| Compound Name |
4-(3-chloro-4-cyanophenoxy)-3-cyano-N-(1-methyl-1H-pyrazol-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H12ClN5O3S
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| Molecular Weight |
413.846
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| Canonical SMILES |
Cn1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(Cl)c3)c(C#N)c2)n1
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| InChI |
InChI=1S/C18H12ClN5O3S/c1-24-7-6-18(22-24)23-28(25,26)15-4-5-17(13(8-15)11-21)27-14-3-2-12(10-20)16(19)9-14/h2-9H,1H3,(H,22,23)
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| InChIKey |
CCEYDNQTBRJHDP-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