General Information of the Compound
| Compound ID |
CP0399547
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| Compound Name |
3-(3-Carboxybenzyl)-6-ethoxy-1-[(6-ethylbenzo[d][1,3]dioxol-5-yl)methyl]-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
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| Structure |
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| Formula |
C30H27NO8
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| Molecular Weight |
529.545
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| Canonical SMILES |
CCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
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| InChI |
InChI=1S/C30H27NO8/c1-3-18-12-25-26(39-16-38-25)13-20(18)15-31-24-9-8-21(37-4-2)14-22(24)28(32)23(27(31)30(35)36)11-17-6-5-7-19(10-17)29(33)34/h5-10,12-14H,3-4,11,15-16H2,1-2H3,(H,33,34)(H,35,36)
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| InChIKey |
UWVSLXNFMJFARF-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