General Information of the Compound
| Compound ID |
CP0378255
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| Compound Name |
5-(4-bromophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
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| Structure |
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| Formula |
C22H21BrN2O
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| Molecular Weight |
409.327
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| Canonical SMILES |
Brc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
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| InChI |
InChI=1S/C22H21BrN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2
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| InChIKey |
UWCXLWPOSUKSGW-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