General Information of the Compound
| Compound ID |
CP0532790
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| Compound Name |
3-[3-[[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C36H47N3O6
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| Molecular Weight |
617.787
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| Canonical SMILES |
CCOC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1
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| InChI |
InChI=1S/C36H47N3O6/c1-7-44-32(22-34(40)41)27-11-9-12-29(20-27)45-23-26-16-18-38(19-17-26)31-21-28(43-6)14-15-30(31)35(42)39(24-36(3,4)5)33-13-8-10-25(2)37-33/h8-15,20-21,26,32H,7,16-19,22-24H2,1-6H3,(H,40,41)
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| InChIKey |
PMIGURGLJMMDRK-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