General Information of the Compound
| Compound ID |
CP0180333
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| Compound Name |
2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)methyl)butanoic acid
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| Structure |
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| Formula |
C22H24N2O4
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| Molecular Weight |
380.444
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| Canonical SMILES |
CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
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| InChI |
InChI=1S/C22H24N2O4/c1-3-17(22(25)26)13-16-9-10-20(23-14-16)27-12-11-19-15(2)28-21(24-19)18-7-5-4-6-8-18/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,26)
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| InChIKey |
LDGIYJVCIBYBFK-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