General Information of the Compound
| Compound ID |
CP0469265
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| Compound Name |
N-(3-amino-3-oxopropyl)-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 |
C22H18N2O5S
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| Molecular Weight |
422.462
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| Canonical SMILES |
NC(=O)CCNC(=O)c1ccc(cc1O)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C22H18N2O5S/c23-20(26)7-8-24-21(27)16-4-2-13(10-17(16)25)19-6-5-18(30-19)12-1-3-15-14(9-12)11-29-22(15)28/h1-6,9-10,25H,7-8,11H2,(H2,23,26)(H,24,27)
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| InChIKey |
IODUOEDGFDXYHQ-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