General Information of the Compound
| Compound ID |
CP0235529
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| Compound Name |
2-(7-phenylheptanoyl)oxazole-4-carbonitrile
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| Synonyms |
2-(7-phenylheptanoyl)oxazole-4-carbonitrile
CHEMBL462423
IGDLMZPDBOKHRJ-UHFFFAOYSA-N
SCHEMBL2162448
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| Structure |
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| Formula |
C17H18N2O2
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| Molecular Weight |
282.343
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nc(co1)C#N
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| InChI |
InChI=1S/C17H18N2O2/c18-12-15-13-21-17(19-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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| InChIKey |
IGDLMZPDBOKHRJ-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
Clinical Information about the Compound
Drug 1 ( 2-(7-phenylheptanoyl)oxazole-4-carbonitrile )
| Drug Name | 2-(7-phenylheptanoyl)oxazole-4-carbonitrile | ||
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