General Information of the Compound
| Compound ID |
CP0404577
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| Compound Name |
2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-((E)-3-p-tolyl-allyloxy)-propionic acid
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| Structure |
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| Formula |
C31H30N2O4
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| Molecular Weight |
494.591
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| Canonical SMILES |
Cc1ccc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C31H30N2O4/c1-22-16-18-25(19-17-22)11-10-20-36-31(26-12-6-4-7-13-26,27-14-8-5-9-15-27)28(29(34)35)37-30-32-23(2)21-24(3)33-30/h4-19,21,28H,20H2,1-3H3,(H,34,35)/b11-10+
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| InChIKey |
ZHXNJGISXVIIND-ZHACJKMWSA-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