General Information of the Compound
| Compound ID |
CP0572541
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| Compound Name |
N-(2-amino-2-oxoethyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H21FN2O4S
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| Molecular Weight |
428.485
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| Canonical SMILES |
COc1cc(CN(CC(N)=O)C(=O)c2cccs2)ccc1OCc1ccc(F)cc1
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| InChI |
InChI=1S/C22H21FN2O4S/c1-28-19-11-16(6-9-18(19)29-14-15-4-7-17(23)8-5-15)12-25(13-21(24)26)22(27)20-3-2-10-30-20/h2-11H,12-14H2,1H3,(H2,24,26)
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| InChIKey |
IODQTPLMRRQXND-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