General Information of the Compound
| Compound ID |
CP0434236
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| Compound Name |
1-[5-cyano-2-(4-methylphenoxy)phenyl]sulfonyl-3-pentylurea
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| Structure |
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| Formula |
C20H23N3O4S
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| Molecular Weight |
401.488
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| Canonical SMILES |
CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)C#N
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| InChI |
InChI=1S/C20H23N3O4S/c1-3-4-5-12-22-20(24)23-28(25,26)19-13-16(14-21)8-11-18(19)27-17-9-6-15(2)7-10-17/h6-11,13H,3-5,12H2,1-2H3,(H2,22,23,24)
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| InChIKey |
AMTRTEPEPPVGBR-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