General Information of the Compound
| Compound ID |
CP0409716
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| Compound Name |
7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid (2-methoxy-ethyl)-amide
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| Structure |
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| Formula |
C37H41FN6O4
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| Molecular Weight |
652.771
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NCCOC)c(=O)n2c1CN(C)CCc1ccccn1
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| InChI |
InChI=1S/C37H41FN6O4/c1-4-9-34(45)41-29-15-13-26(14-16-29)30-22-35-43(23-27-10-5-6-12-32(27)38)24-31(36(46)40-19-21-48-3)37(47)44(35)33(30)25-42(2)20-17-28-11-7-8-18-39-28/h5-8,10-16,18,22,24H,4,9,17,19-21,23,25H2,1-3H3,(H,40,46)(H,41,45)
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| InChIKey |
ICWGWZNJTJKESB-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