General Information of the Compound
| Compound ID |
CP0409401
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(3,4-dichloro-phenyl)-5-hydroxy-5H-furan-2-one
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| Structure |
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| Formula |
C24H16Cl2O5
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| Molecular Weight |
455.293
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| Canonical SMILES |
OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H16Cl2O5/c25-18-8-7-16(12-19(18)26)24(28)17(10-14-4-2-1-3-5-14)22(23(27)31-24)15-6-9-20-21(11-15)30-13-29-20/h1-9,11-12,28H,10,13H2
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| InChIKey |
GTADCEYWHLRYOB-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