General Information of the Compound
| Compound ID |
CP0497687
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| Compound Name |
3,3-Bis-(4-ethyl-phenyl)-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)-3-[2-(4-methoxy-phenyl)-ethoxy]-propionic acid
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| Structure |
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| Formula |
C34H38N2O6
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| Molecular Weight |
570.686
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| Canonical SMILES |
CCc1ccc(cc1)C(OCCc1ccc(OC)cc1)(C(Oc1nc(C)cc(OC)n1)C(O)=O)c1ccc(CC)cc1
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| InChI |
InChI=1S/C34H38N2O6/c1-6-24-8-14-27(15-9-24)34(28-16-10-25(7-2)11-17-28,41-21-20-26-12-18-29(39-4)19-13-26)31(32(37)38)42-33-35-23(3)22-30(36-33)40-5/h8-19,22,31H,6-7,20-21H2,1-5H3,(H,37,38)
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| InChIKey |
BWMGPBPXTCNARL-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor