General Information of the Compound
| Compound ID |
CP0340908
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| Compound Name |
3-(2-cyanofuran-5-carboxamido)-4-(piperidin-1-yl)benzoic acid
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| Structure |
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| Formula |
C18H17N3O4
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| Molecular Weight |
339.351
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| Canonical SMILES |
OC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(o2)C#N)c1
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| InChI |
InChI=1S/C18H17N3O4/c19-11-13-5-7-16(25-13)17(22)20-14-10-12(18(23)24)4-6-15(14)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,20,22)(H,23,24)
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| InChIKey |
WMOKHNFMRKSIOH-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