General Information of the Compound
| Compound ID |
CP0375916
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| Compound Name |
Allyl-carbamic acid 4-benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-oxo-3-(3,4,5-trimethoxy-benzyl)-2,5-dihydro-furan-2-yl ester
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| Structure |
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| Formula |
C32H31NO10
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| Molecular Weight |
589.597
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| Canonical SMILES |
COc1ccc(cc1)C1(OC(=O)NCC=C)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C32H31NO10/c1-6-13-33-31(35)43-32(21-8-10-22(36-2)11-9-21)23(14-19-15-26(37-3)29(39-5)27(16-19)38-4)28(30(34)42-32)20-7-12-24-25(17-20)41-18-40-24/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,33,35)
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| InChIKey |
CZRWRCWCSHNAHY-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