General Information of the Compound
| Compound ID |
CP0336739
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| Compound Name |
5-cyano-N-(5-((2,3-dihydroxypropoxy)methyl)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C21H25N3O5
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| Molecular Weight |
399.447
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| Canonical SMILES |
OCC(O)COCc1ccc(N2CCCCC2)c(NC(=O)c2ccc(o2)C#N)c1
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| InChI |
InChI=1S/C21H25N3O5/c22-11-17-5-7-20(29-17)21(27)23-18-10-15(13-28-14-16(26)12-25)4-6-19(18)24-8-2-1-3-9-24/h4-7,10,16,25-26H,1-3,8-9,12-14H2,(H,23,27)
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| InChIKey |
DAGZJURMWNMYCV-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