General Information of the Compound
| Compound ID |
CP0138604
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| Compound Name |
methyl 6-[5-(7-phenylheptanoyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylate
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
COC(=O)c1cccc(n1)-c1noc(n1)C(=O)CCCCCCc1ccccc1
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| InChI |
InChI=1S/C22H23N3O4/c1-28-22(27)18-14-9-13-17(23-18)20-24-21(29-25-20)19(26)15-8-3-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-14H,2-3,5,8,10,15H2,1H3
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| InChIKey |
GNGWRUQOAKCSHC-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