General Information of the Compound
| Compound ID |
CP0085385
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| Compound Name |
ethyl 5-(4-iodophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
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| Structure |
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| Formula |
C18H16IN3O4S
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| Molecular Weight |
497.314
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| Canonical SMILES |
CCOC(=O)c1cc(-c2ccc(I)cc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C18H16IN3O4S/c1-2-26-18(23)16-11-17(12-3-5-13(19)6-4-12)22(21-16)14-7-9-15(10-8-14)27(20,24)25/h3-11H,2H2,1H3,(H2,20,24,25)
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| InChIKey |
KWODIPMMQSPOJE-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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