General Information of the Compound
| Compound ID |
CP0572603
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| Compound Name |
3-[3-[6-(3-oxo-1H-isoindol-2-yl)pyridin-2-yl]-1,2,4-triazol-4-yl]butanenitrile
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| Structure |
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| Formula |
C19H16N6O
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| Molecular Weight |
344.378
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| Canonical SMILES |
CC(CC#N)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
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| InChI |
InChI=1S/C19H16N6O/c1-13(9-10-20)25-12-21-23-18(25)16-7-4-8-17(22-16)24-11-14-5-2-3-6-15(14)19(24)26/h2-8,12-13H,9,11H2,1H3
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| InChIKey |
SGHKPXHMXCMNDI-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