General Information of the Compound
| Compound ID |
CP0203583
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| Compound Name |
8-Cyano-1-(2-fluoro-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 1-ethyl-propyl ester
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| Structure |
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| Formula |
C40H44FN5O4
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| Molecular Weight |
677.821
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| Canonical SMILES |
CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OCC(C)C)cc1
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| InChI |
InChI=1S/C40H44FN5O4/c1-6-31(7-2)50-40(48)34-24-45(23-29-12-8-9-14-35(29)41)38-33(22-42)37(28-15-17-32(18-16-28)49-26-27(3)4)36(46(38)39(34)47)25-44(5)21-19-30-13-10-11-20-43-30/h8-18,20,24,27,31H,6-7,19,21,23,25-26H2,1-5H3
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| InChIKey |
YDMAKFAZWUHFEF-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