General Information of the Compound
| Compound ID |
CP0545748
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| Compound Name |
1-(3,4-difluorobenzoyl)-9b-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
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| Structure |
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| Formula |
C25H20F2N2O3
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| Molecular Weight |
434.442
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| Canonical SMILES |
CCOc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C25H20F2N2O3/c1-2-32-18-10-8-17(9-11-18)25-20-6-4-3-5-19(20)24(31)29(25)14-13-28(25)23(30)16-7-12-21(26)22(27)15-16/h3-12,15H,2,13-14H2,1H3
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| InChIKey |
QFZIDIYRMNOSQN-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