General Information of the Compound
| Compound ID |
CP0535305
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| Compound Name |
3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-benzyl)-5-oxo-2-{4-[(thiophene-3-carbonyl)-amino]-phenyl}-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C36H31F2N5O4S
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| Molecular Weight |
667.738
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)c2ccsc2)cc1
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| InChI |
InChI=1S/C36H31F2N5O4S/c1-3-47-35(46)28-20-42(19-27-29(37)10-7-11-30(27)38)36-40-32(24-12-14-26(15-13-24)39-33(44)25-16-17-48-22-25)31(43(36)34(28)45)21-41(2)18-23-8-5-4-6-9-23/h4-17,20,22H,3,18-19,21H2,1-2H3,(H,39,44)
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| InChIKey |
PGKUMSSGPVUVCU-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