General Information of the Compound
| Compound ID |
CP0403942
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| Compound Name |
3-(4-Chloro-phenyl)-5-hydroxy-4-(4-methoxy-benzyl)-5-(4-methoxy-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C25H21ClO5
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| Molecular Weight |
436.891
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| Canonical SMILES |
COc1ccc(CC2=C(C(=O)OC2(O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C25H21ClO5/c1-29-20-11-3-16(4-12-20)15-22-23(17-5-9-19(26)10-6-17)24(27)31-25(22,28)18-7-13-21(30-2)14-8-18/h3-14,28H,15H2,1-2H3
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| InChIKey |
RQUIHRSTPLMWSU-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