General Information of the Compound
| Compound ID |
CP0344191
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| Compound Name |
6-[(Benzyl-methyl-amino)-methyl]-1-(2-fluoro-benzyl)-7-(4-isobutyrylamino-phenyl)-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C36H37FN4O4
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| Molecular Weight |
608.714
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)C(C)C)cc1
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| InChI |
InChI=1S/C36H37FN4O4/c1-5-45-36(44)30-22-40(21-27-13-9-10-14-31(27)37)33-19-29(26-15-17-28(18-16-26)38-34(42)24(2)3)32(41(33)35(30)43)23-39(4)20-25-11-7-6-8-12-25/h6-19,22,24H,5,20-21,23H2,1-4H3,(H,38,42)
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| InChIKey |
LTDVFWLCCJRLEV-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