General Information of the Compound
| Compound ID |
CP0951854
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| Compound Name |
methyl 3-(4-(N-(4-chloro-2-(pyridine-4-carbonyl)phenyl)sulfamoyl)phenyl)propanoate
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| Structure |
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| Formula |
C22H19ClN2O5S
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| Molecular Weight |
458.923
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| Canonical SMILES |
COC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1
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| InChI |
InChI=1S/C22H19ClN2O5S/c1-30-21(26)9-4-15-2-6-18(7-3-15)31(28,29)25-20-8-5-17(23)14-19(20)22(27)16-10-12-24-13-11-16/h2-3,5-8,10-14,25H,4,9H2,1H3
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| InChIKey |
IOTIUSJITLYMIW-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