General Information of the Compound
| Compound ID |
CP0448182
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| Compound Name |
3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-benzyl)-2-[4-(3-ethyl-ureido)-phenyl]-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid propyl ester
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| Structure |
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| Formula |
C35H36F2N6O4
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| Molecular Weight |
642.707
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OC(C)C)c(=O)n2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C35H36F2N6O4/c1-5-38-34(46)39-25-16-14-24(15-17-25)31-30(21-41(4)18-23-10-7-6-8-11-23)43-32(44)27(33(45)47-22(2)3)20-42(35(43)40-31)19-26-28(36)12-9-13-29(26)37/h6-17,20,22H,5,18-19,21H2,1-4H3,(H2,38,39,46)
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| InChIKey |
KMJBQQVXZCZHNB-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