General Information of the Compound
| Compound ID |
CP0435797
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| Compound Name |
ethyl 3-[[benzyl(methyl)amino]methyl]-8-[(2,6-difluorophenyl)methyl]-5-oxo-2-[4-(prop-2-ynylcarbamoylamino)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C35H32F2N6O4
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| Molecular Weight |
638.675
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)NCC#C)cc1
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| InChI |
InChI=1S/C35H32F2N6O4/c1-4-18-38-34(46)39-25-16-14-24(15-17-25)31-30(22-41(3)19-23-10-7-6-8-11-23)43-32(44)27(33(45)47-5-2)21-42(35(43)40-31)20-26-28(36)12-9-13-29(26)37/h1,6-17,21H,5,18-20,22H2,2-3H3,(H2,38,39,46)
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| InChIKey |
QLUQZZRKCLEVOY-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