General Information of the Compound
| Compound ID |
CP0508899
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| Compound Name |
1-[5-cyano-2-(4-iodophenoxy)phenyl]sulfonyl-3-propan-2-ylurea
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| Structure |
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| Formula |
C17H16IN3O4S
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| Molecular Weight |
485.303
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| Canonical SMILES |
CC(C)NC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(I)cc1)C#N
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| InChI |
InChI=1S/C17H16IN3O4S/c1-11(2)20-17(22)21-26(23,24)16-9-12(10-19)3-8-15(16)25-14-6-4-13(18)5-7-14/h3-9,11H,1-2H3,(H2,20,21,22)
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| InChIKey |
JMAOUJSLUFPIRP-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