General Information of the Compound
| Compound ID |
CP0547454
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| Compound Name |
N-[(4-cyanophenyl)methyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)acetamide
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| Structure |
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| Formula |
C20H16N4O
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| Molecular Weight |
328.375
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| Canonical SMILES |
O=C(CC1c2ccccc2-c2cncn12)NCc1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H16N4O/c21-10-14-5-7-15(8-6-14)11-23-20(25)9-18-16-3-1-2-4-17(16)19-12-22-13-24(18)19/h1-8,12-13,18H,9,11H2,(H,23,25)
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| InChIKey |
OLILFIRTEFHTOZ-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