General Information of the Compound
| Compound ID |
CP0501241
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| Compound Name |
2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-phenethyloxy-3,3-diphenyl-propionic acid
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| Structure |
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| Formula |
C29H28N2O4
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| Molecular Weight |
468.553
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| Canonical SMILES |
Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccccc2)(c2ccccc2)c2ccccc2)n1
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| InChI |
InChI=1S/C29H28N2O4/c1-21-20-22(2)31-28(30-21)35-26(27(32)33)29(24-14-8-4-9-15-24,25-16-10-5-11-17-25)34-19-18-23-12-6-3-7-13-23/h3-17,20,26H,18-19H2,1-2H3,(H,32,33)
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| InChIKey |
QWDHLTWAAVZDIR-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