General Information of the Compound
| Compound ID |
CP0539507
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| Compound Name |
8-Cyano-1-(2,6-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(Cc2c(F)cccc2F)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)30-21-43(20-29-31(38)10-8-11-32(29)39)35-28(19-40)34(25-12-14-27(15-13-25)48-23-24(2)3)33(44(35)36(30)45)22-42(4)18-16-26-9-6-7-17-41-26/h6-15,17,21,24H,5,16,18,20,22-23H2,1-4H3
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| InChIKey |
JQUJZHYUBDGGCA-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