General Information of the Compound
| Compound ID |
CP0508960
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| Compound Name |
9b-(1,3-benzodioxol-5-yl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
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| Structure |
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| Formula |
C24H16F2N2O4
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| Molecular Weight |
434.398
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| Canonical SMILES |
Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H16F2N2O4/c25-18-7-5-14(11-19(18)26)22(29)27-9-10-28-23(30)16-3-1-2-4-17(16)24(27,28)15-6-8-20-21(12-15)32-13-31-20/h1-8,11-12H,9-10,13H2
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| InChIKey |
BCIWRLNQSMQKBT-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