General Information of the Compound
| Compound ID |
CP0526616
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| Compound Name |
5-benzyl-5-(6-bromopyridin-3-yl)imidazo[2,1-a]isoindole
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| Structure |
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| Formula |
C22H16BrN3
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| Molecular Weight |
402.295
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| Canonical SMILES |
Brc1ccc(cn1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
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| InChI |
InChI=1S/C22H16BrN3/c23-20-11-10-17(15-25-20)22(14-16-6-2-1-3-7-16)19-9-5-4-8-18(19)21-24-12-13-26(21)22/h1-13,15H,14H2
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| InChIKey |
GPGVMZLHRUEVAN-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