General Information of the Compound
| Compound ID |
CP0499993
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| Compound Name |
3-(2,2-difluoroethoxy)-6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H32F2N4O6
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| Molecular Weight |
558.582
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| Canonical SMILES |
CCc1cc2n(C)c(C(=O)NC3CCN(CC3)C(=O)CO)c(OCC(F)F)c2c(=O)n1CC(=O)c1ccccc1
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| InChI |
InChI=1S/C28H32F2N4O6/c1-3-19-13-20-24(28(39)34(19)14-21(36)17-7-5-4-6-8-17)26(40-16-22(29)30)25(32(20)2)27(38)31-18-9-11-33(12-10-18)23(37)15-35/h4-8,13,18,22,35H,3,9-12,14-16H2,1-2H3,(H,31,38)
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| InChIKey |
JMVRJLZVEKQQFD-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