General Information of the Compound
| Compound ID |
CP0371888
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| Compound Name |
methyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
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| Structure |
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| Formula |
C25H20N2O4
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| Molecular Weight |
412.445
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| Canonical SMILES |
COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C25H20N2O4/c1-30-25(29)21-9-5-8-20(27-21)23-16-26-24(31-23)22(28)15-12-17-10-13-19(14-11-17)18-6-3-2-4-7-18/h2-11,13-14,16H,12,15H2,1H3
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| InChIKey |
KZQIICDCAZJBDW-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