General Information of the Compound
| Compound ID |
CP0393642
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| Compound Name |
2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-bis-(4-ethyl-phenyl)-3-[2-(4-methoxy-phenyl)-ethoxy]-propionic acid
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| Structure |
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| Formula |
C34H38N2O5
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| Molecular Weight |
554.687
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| Canonical SMILES |
CCc1ccc(cc1)C(OCCc1ccc(OC)cc1)(C(Oc1nc(C)cc(C)n1)C(O)=O)c1ccc(CC)cc1
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| InChI |
InChI=1S/C34H38N2O5/c1-6-25-8-14-28(15-9-25)34(29-16-10-26(7-2)11-17-29,40-21-20-27-12-18-30(39-5)19-13-27)31(32(37)38)41-33-35-23(3)22-24(4)36-33/h8-19,22,31H,6-7,20-21H2,1-5H3,(H,37,38)
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| InChIKey |
VQUBCMKIGJZUME-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