General Information of the Compound
| Compound ID |
CP0460098
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| Compound Name |
2-(4-Benzoylamino-phenyl)-3-[(benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-benzyl)-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C38H33F2N5O4
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| Molecular Weight |
661.709
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C38H33F2N5O4/c1-3-49-37(48)30-23-44(22-29-31(39)15-10-16-32(29)40)38-42-34(26-17-19-28(20-18-26)41-35(46)27-13-8-5-9-14-27)33(45(38)36(30)47)24-43(2)21-25-11-6-4-7-12-25/h4-20,23H,3,21-22,24H2,1-2H3,(H,41,46)
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| InChIKey |
IAPQVOLLBFCQRK-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