General Information of the Compound
| Compound ID |
CP0319652
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| Compound Name |
2-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]isoindole-1,3-dione
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| Structure |
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| Formula |
C21H16N2O2
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| Molecular Weight |
328.371
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| Canonical SMILES |
O=C1N(C2CCCC(=C2)C#Cc2ccccn2)C(=O)c2ccccc12
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| InChI |
InChI=1S/C21H16N2O2/c24-20-18-9-1-2-10-19(18)21(25)23(20)17-8-5-6-15(14-17)11-12-16-7-3-4-13-22-16/h1-4,7,9-10,13-14,17H,5-6,8H2
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| InChIKey |
AJBNCPAXQVKUKD-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