General Information of the Compound
| Compound ID |
CP0409668
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| Compound Name |
3,3-Bis-(4-chloro-phenyl)-3-[2-(3,4-dimethoxy-phenyl)-ethoxy]-2-(4-methoxy-6,7-dihydro-5H-cyclopentapyrimidin-2-yloxy)-propionic acid
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| Structure |
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| Formula |
C33H32Cl2N2O7
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| Molecular Weight |
639.532
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| Canonical SMILES |
COc1ccc(CCOC(C(Oc2nc3CCCc3c(OC)n2)C(O)=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC
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| InChI |
InChI=1S/C33H32Cl2N2O7/c1-40-27-16-7-20(19-28(27)41-2)17-18-43-33(21-8-12-23(34)13-9-21,22-10-14-24(35)15-11-22)29(31(38)39)44-32-36-26-6-4-5-25(26)30(37-32)42-3/h7-16,19,29H,4-6,17-18H2,1-3H3,(H,38,39)
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| InChIKey |
ZXXCWRYARSIMPM-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