General Information of the Compound
| Compound ID |
CP0410510
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| Compound Name |
7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-[(methyl-phenethyl-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 |
C40H45FN4O4
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| Molecular Weight |
664.822
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccc1
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| InChI |
InChI=1S/C40H45FN4O4/c1-5-13-37(46)42-31-20-18-29(19-21-31)33-24-38-44(25-30-16-11-12-17-35(30)41)26-34(40(48)49-32(6-2)7-3)39(47)45(38)36(33)27-43(4)23-22-28-14-9-8-10-15-28/h8-12,14-21,24,26,32H,5-7,13,22-23,25,27H2,1-4H3,(H,42,46)
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| InChIKey |
MALCCJMOWDULCW-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