General Information of the Compound
| Compound ID |
CP0573040
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| Compound Name |
2-hydroxy-N-(2-hydroxypropyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
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| Structure |
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| Formula |
C22H19NO5S
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| Molecular Weight |
409.463
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| Canonical SMILES |
CC(O)CNC(=O)c1ccc(cc1O)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C22H19NO5S/c1-12(24)10-23-21(26)17-5-3-14(9-18(17)25)20-7-6-19(29-20)13-2-4-16-15(8-13)11-28-22(16)27/h2-9,12,24-25H,10-11H2,1H3,(H,23,26)
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| InChIKey |
YUKGUUJEGDEJMF-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