General Information of the Compound
| Compound ID |
CP0179484
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| Compound Name |
5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylmethoxycarbonyl-3,4-dihydro-2H-pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C33H32N2O6
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| Molecular Weight |
552.627
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(CC2=CN(CCC2C(O)=O)C(=O)OCc2ccccc2)c1)-c1ccccc1
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| InChI |
InChI=1S/C33H32N2O6/c1-23-30(34-31(41-23)26-12-6-3-7-13-26)16-18-39-28-14-8-11-25(20-28)19-27-21-35(17-15-29(27)32(36)37)33(38)40-22-24-9-4-2-5-10-24/h2-14,20-21,29H,15-19,22H2,1H3,(H,36,37)
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| InChIKey |
SYXYLISWDVAZME-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