General Information of the Compound
| Compound ID |
CP0567093
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| Compound Name |
3-(4-benzyl-3-oxoquinoxalin-2-yl)benzonitrile
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| Structure |
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| Formula |
C22H15N3O
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| Molecular Weight |
337.382
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| Canonical SMILES |
O=c1c(nc2ccccc2n1Cc1ccccc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C22H15N3O/c23-14-17-9-6-10-18(13-17)21-22(26)25(15-16-7-2-1-3-8-16)20-12-5-4-11-19(20)24-21/h1-13H,15H2
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| InChIKey |
VJELAGOVJXSLIG-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