General Information of the Compound
| Compound ID |
CP0403931
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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 hexylamide
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| Structure |
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| Formula |
C40H47FN6O3
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| Molecular Weight |
678.853
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| Canonical SMILES |
CCCCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(NC(=O)CCC)cc1
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| InChI |
InChI=1S/C40H47FN6O3/c1-4-6-7-11-23-43-39(49)34-27-46(26-30-14-8-9-16-35(30)41)38-25-33(29-17-19-32(20-18-29)44-37(48)13-5-2)36(47(38)40(34)50)28-45(3)24-21-31-15-10-12-22-42-31/h8-10,12,14-20,22,25,27H,4-7,11,13,21,23-24,26,28H2,1-3H3,(H,43,49)(H,44,48)
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| InChIKey |
OJWVDKCOGMRFNT-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