General Information of the Compound
| Compound ID |
CP0525757
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| Compound Name |
5-cyano-N-(4-(N-methylmethan-2-ylsulfonamido)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C19H22N4O4S
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| Molecular Weight |
402.476
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| Canonical SMILES |
CN(c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)N1CCCCC1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H22N4O4S/c1-22(28(2,25)26)14-6-8-16(17(12-14)23-10-4-3-5-11-23)21-19(24)18-9-7-15(13-20)27-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)
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| InChIKey |
WKEZULBZMKJKNX-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