General Information of the Compound
| Compound ID |
CP0541653
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| Compound Name |
2-oxo-N-(4-phenylbutyl)-[1,3]oxazolo[5,4-c]pyridine-1-carboxamide
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| Structure |
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| Formula |
C17H17N3O3
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| Molecular Weight |
311.341
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| Canonical SMILES |
O=C(NCCCCc1ccccc1)n1c2ccncc2oc1=O
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| InChI |
InChI=1S/C17H17N3O3/c21-16(19-10-5-4-8-13-6-2-1-3-7-13)20-14-9-11-18-12-15(14)23-17(20)22/h1-3,6-7,9,11-12H,4-5,8,10H2,(H,19,21)
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| InChIKey |
XHBAHKNDVPEWPK-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