General Information of the Compound
| Compound ID |
CP0405359
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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 ethyl ester
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| Structure |
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| Formula |
C34H34F2N6O4
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| Molecular Weight |
628.68
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C34H34F2N6O4/c1-4-37-33(45)38-24-16-14-23(15-17-24)30-29(21-40(3)18-22-10-7-6-8-11-22)42-31(43)26(32(44)46-5-2)20-41(34(42)39-30)19-25-27(35)12-9-13-28(25)36/h6-17,20H,4-5,18-19,21H2,1-3H3,(H2,37,38,45)
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| InChIKey |
YCJOYRXLFOTOAW-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