General Information of the Compound
| Compound ID |
CP0448811
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| Compound Name |
6-[(Benzyl-methyl-amino)-methyl]-7-(4-butyrylamino-phenyl)-1-(2-fluoro-benzyl)-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 |
C39H43FN4O4
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| Molecular Weight |
650.795
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C39H43FN4O4/c1-5-13-36(45)41-30-20-18-28(19-21-30)32-22-37-43(24-29-16-11-12-17-34(29)40)25-33(39(47)48-31(6-2)7-3)38(46)44(37)35(32)26-42(4)23-27-14-9-8-10-15-27/h8-12,14-22,25,31H,5-7,13,23-24,26H2,1-4H3,(H,41,45)
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| InChIKey |
GKAJTCCMZCXKFH-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