General Information of the Compound
| Compound ID |
CP0160819
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| Compound Name |
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C29H34N2O6
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| Molecular Weight |
506.599
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| Canonical SMILES |
CC(C)COC(=O)N1CCC(C(C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1)C(O)=O
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| InChI |
InChI=1S/C29H34N2O6/c1-19(2)18-36-29(34)31-14-12-24(28(32)33)25(17-31)22-10-7-11-23(16-22)35-15-13-26-20(3)37-27(30-26)21-8-5-4-6-9-21/h4-11,16,19,24-25H,12-15,17-18H2,1-3H3,(H,32,33)
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| InChIKey |
XIUDSCBTVUHYMN-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