General Information of the Compound
| Compound ID |
CP0448145
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| Compound Name |
7-(4-Butyrylamino-phenyl)-6-dimethylaminomethyl-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 |
C33H39FN4O4
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| Molecular Weight |
574.697
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)C
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| InChI |
InChI=1S/C33H39FN4O4/c1-6-11-30(39)35-24-16-14-22(15-17-24)26-18-31-37(19-23-12-9-10-13-28(23)34)20-27(33(41)42-25(7-2)8-3)32(40)38(31)29(26)21-36(4)5/h9-10,12-18,20,25H,6-8,11,19,21H2,1-5H3,(H,35,39)
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| InChIKey |
LIPVNCFJDODAOI-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