General Information of the Compound
| Compound ID |
CP0451111
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| Compound Name |
8-Cyano-1-(2,5-difluoro-benzyl)-7-(4-isobutoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-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 |
C37H37F2N5O4
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| Molecular Weight |
653.73
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2cc(F)ccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OCC(C)C)cc1
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| InChI |
InChI=1S/C37H37F2N5O4/c1-5-47-37(46)31-21-43(20-26-18-27(38)11-14-32(26)39)35-30(19-40)34(25-9-12-29(13-10-25)48-23-24(2)3)33(44(35)36(31)45)22-42(4)17-15-28-8-6-7-16-41-28/h6-14,16,18,21,24H,5,15,17,20,22-23H2,1-4H3
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| InChIKey |
HQBZBPOFKJOFHW-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