General Information of the Compound
| Compound ID |
CP0493953
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| Compound Name |
2-[[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C24H16BrN3
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| Molecular Weight |
426.317
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| Canonical SMILES |
Brc1ccc(cc1)C1(Cc2ccccc2C#N)c2ccccc2-c2nccn12
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| InChI |
InChI=1S/C24H16BrN3/c25-20-11-9-19(10-12-20)24(15-17-5-1-2-6-18(17)16-26)22-8-4-3-7-21(22)23-27-13-14-28(23)24/h1-14H,15H2
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| InChIKey |
PKEMSKLKHIQVFO-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