General Information of the Compound
| Compound ID |
CP0510586
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| Compound Name |
3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-benzyl)-5-oxo-2-(4-propionylamino-phenyl)-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C34H33F2N5O4
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| Molecular Weight |
613.665
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)CC)cc1
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| InChI |
InChI=1S/C34H33F2N5O4/c1-4-30(42)37-24-16-14-23(15-17-24)31-29(21-39(3)18-22-10-7-6-8-11-22)41-32(43)26(33(44)45-5-2)20-40(34(41)38-31)19-25-27(35)12-9-13-28(25)36/h6-17,20H,4-5,18-19,21H2,1-3H3,(H,37,42)
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| InChIKey |
KBNMTSJOOYCNQU-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