General Information of the Compound
| Compound ID |
CP0448475
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| Compound Name |
7-(4-Acetylamino-phenyl)-6-[(benzyl-methyl-amino)-methyl]-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 |
C37H39FN4O4
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| Molecular Weight |
622.741
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| Canonical SMILES |
CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C37H39FN4O4/c1-5-30(6-2)46-37(45)32-23-41(22-28-14-10-11-15-33(28)38)35-20-31(27-16-18-29(19-17-27)39-25(3)43)34(42(35)36(32)44)24-40(4)21-26-12-8-7-9-13-26/h7-20,23,30H,5-6,21-22,24H2,1-4H3,(H,39,43)
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| InChIKey |
ZSYJZAJZWKGBSG-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