General Information of the Compound
| Compound ID |
CP0452698
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| Compound Name |
N-[2-(dimethylamino)ethyl]-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 |
C23H22N2O4S
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| Molecular Weight |
422.506
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| Canonical SMILES |
CN(C)CCNC(=O)c1ccc(cc1O)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C23H22N2O4S/c1-25(2)10-9-24-22(27)18-6-4-15(12-19(18)26)21-8-7-20(30-21)14-3-5-17-16(11-14)13-29-23(17)28/h3-8,11-12,26H,9-10,13H2,1-2H3,(H,24,27)
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| InChIKey |
QEZAMWWZGPMSCM-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