General Information of the Compound
| Compound ID |
CP0567558
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| Compound Name |
N-(2-amino-2-oxoethyl)-2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
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| Structure |
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| Formula |
C21H16N2O5S
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| Molecular Weight |
408.435
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| Canonical SMILES |
NC(=O)CNC(=O)c1ccc(cc1O)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C21H16N2O5S/c22-19(25)9-23-20(26)15-4-2-12(8-16(15)24)18-6-5-17(29-18)11-1-3-14-13(7-11)10-28-21(14)27/h1-8,24H,9-10H2,(H2,22,25)(H,23,26)
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| InChIKey |
XJVMTQBWQRVXIS-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