General Information of the Compound
| Compound ID |
CP0344270
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| Compound Name |
2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(heptyl)amino)acetic acid
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| Structure |
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| Formula |
C28H36N2O4
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| Molecular Weight |
464.606
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| Canonical SMILES |
CCCCCCCN(CC(O)=O)Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1
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| InChI |
InChI=1S/C28H36N2O4/c1-3-4-5-6-10-18-30(21-27(31)32)20-23-13-15-25(16-14-23)33-19-17-26-22(2)34-28(29-26)24-11-8-7-9-12-24/h7-9,11-16H,3-6,10,17-21H2,1-2H3,(H,31,32)
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| InChIKey |
HPMCRWIRWDSQIY-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