General Information of the Compound
| Compound ID |
CP0539522
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| Compound Name |
7-(4-Butyrylamino-phenyl)-6-{[(2-diethylamino-ethyl)-methyl-amino]-methyl}-1-(2-fluoro-benzyl)-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid butylamide
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| Structure |
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| Formula |
C37H49FN6O3
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| Molecular Weight |
644.836
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| Canonical SMILES |
CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)CCN(CC)CC)n2c1=O)-c1ccc(NC(=O)CCC)cc1
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| InChI |
InChI=1S/C37H49FN6O3/c1-6-10-20-39-36(46)31-25-43(24-28-14-11-12-15-32(28)38)35-23-30(27-16-18-29(19-17-27)40-34(45)13-7-2)33(44(35)37(31)47)26-41(5)21-22-42(8-3)9-4/h11-12,14-19,23,25H,6-10,13,20-22,24,26H2,1-5H3,(H,39,46)(H,40,45)
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| InChIKey |
RMTWNPZVHIZOGT-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