General Information of the Compound
| Compound ID |
CP0132962
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| Compound Name |
3-{4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-2-[(pyrazin-2-yloxycarbonylamino)-methyl]-phenyl}-propionic acid
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| Structure |
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| Formula |
C33H30N4O6
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| Molecular Weight |
578.625
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)Oc2cnccn2)c1)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C33H30N4O6/c1-22-29(37-32(42-22)26-9-7-24(8-10-26)23-5-3-2-4-6-23)15-18-41-28-13-11-25(12-14-31(38)39)27(19-28)20-36-33(40)43-30-21-34-16-17-35-30/h2-11,13,16-17,19,21H,12,14-15,18,20H2,1H3,(H,36,40)(H,38,39)
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| InChIKey |
VATCVNIKAWMLQK-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