General Information of the Compound
| Compound ID |
CP0535333
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| Compound Name |
3-[(Benzyl-methyl-amino)-methyl]-2-(4-butyrylamino-phenyl)-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 |
C35H35F2N5O4
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| Molecular Weight |
627.692
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)C(C)C)cc1
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| InChI |
InChI=1S/C35H35F2N5O4/c1-5-46-34(45)27-20-41(19-26-28(36)12-9-13-29(26)37)35-39-31(24-14-16-25(17-15-24)38-32(43)22(2)3)30(42(35)33(27)44)21-40(4)18-23-10-7-6-8-11-23/h6-17,20,22H,5,18-19,21H2,1-4H3,(H,38,43)
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| InChIKey |
GLRQKOKFWIXNOJ-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