General Information of the Compound
| Compound ID |
CP0407140
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| Compound Name |
1-[5-cyano-2-(4-fluoroanilino)phenyl]sulfonyl-3-pentylurea
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| Structure |
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| Formula |
C19H21FN4O3S
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| Molecular Weight |
404.467
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| Canonical SMILES |
CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(F)cc1)C#N
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| InChI |
InChI=1S/C19H21FN4O3S/c1-2-3-4-11-22-19(25)24-28(26,27)18-12-14(13-21)5-10-17(18)23-16-8-6-15(20)7-9-16/h5-10,12,23H,2-4,11H2,1H3,(H2,22,24,25)
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| InChIKey |
DQIXZWCIAOTRGA-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