General Information of the Compound
| Compound ID |
CP0460099
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| Compound Name |
1-(3-(6-Cyanopiridin-2-yl)-1,2,4-oxadiazol-5-yl)-7-phenylheptan-1-one
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| Structure |
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nc(no1)-c1cccc(n1)C#N
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| InChI |
InChI=1S/C21H20N4O2/c22-15-17-12-8-13-18(23-17)20-24-21(27-25-20)19(26)14-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-13H,1-2,4,7,9,14H2
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| InChIKey |
GFIUMTOKRQIOFB-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