General Information of the Compound
| Compound ID |
CP0441850
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| Compound Name |
3-[2-(4-Chloro-phenyl)-ethoxy]-2-(4,6-dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-propionic acid
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| Structure |
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| Formula |
C29H27ClN2O4
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| Molecular Weight |
502.998
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| Canonical SMILES |
Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)n1
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| InChI |
InChI=1S/C29H27ClN2O4/c1-20-19-21(2)32-28(31-20)36-26(27(33)34)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)35-18-17-22-13-15-25(30)16-14-22/h3-16,19,26H,17-18H2,1-2H3,(H,33,34)
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| InChIKey |
PMUCOFCFESYTCH-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