General Information of the Compound
| Compound ID |
CP0526573
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| Compound Name |
8-Cyano-1-(2,4-difluoro-benzyl)-7-(4-isobutoxy-phenyl)-6-[(methyl-phenethyl-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 |
C38H38F2N4O4
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| Molecular Weight |
652.742
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccc(F)cc2F)c2c(C#N)c(c(CN(C)CCc3ccccc3)n2c1=O)-c1ccc(OCC(C)C)cc1
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| InChI |
InChI=1S/C38H38F2N4O4/c1-5-47-38(46)32-22-43(21-28-11-14-29(39)19-33(28)40)36-31(20-41)35(27-12-15-30(16-13-27)48-24-25(2)3)34(44(36)37(32)45)23-42(4)18-17-26-9-7-6-8-10-26/h6-16,19,22,25H,5,17-18,21,23-24H2,1-4H3
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| InChIKey |
SCQZUTFMWNDLMQ-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