General Information of the Compound
| Compound ID |
CP0179303
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| Compound Name |
5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C31H36N2O6
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| Molecular Weight |
532.637
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| Canonical SMILES |
CC(C)COC(=O)N1CCC(C(O)=O)=C(CCc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1
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| InChI |
InChI=1S/C31H36N2O6/c1-21(2)20-38-31(36)33-17-15-27(30(34)35)25(19-33)12-9-23-10-13-26(14-11-23)37-18-16-28-22(3)39-29(32-28)24-7-5-4-6-8-24/h4-8,10-11,13-14,21H,9,12,15-20H2,1-3H3,(H,34,35)
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| InChIKey |
KFTRRHRBOGHGRG-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