General Information of the Compound
| Compound ID |
CP0510933
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| Compound Name |
9b-(4-propan-2-yloxyphenyl)-1-(3,4,5-trifluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
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| Structure |
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| Formula |
C26H21F3N2O3
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| Molecular Weight |
466.459
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| Canonical SMILES |
CC(C)Oc1ccc(cc1)C12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1
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| InChI |
InChI=1S/C26H21F3N2O3/c1-15(2)34-18-9-7-17(8-10-18)26-20-6-4-3-5-19(20)25(33)31(26)12-11-30(26)24(32)16-13-21(27)23(29)22(28)14-16/h3-10,13-15H,11-12H2,1-2H3
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| InChIKey |
JLSIPJIRHNZXIM-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