General Information of the Compound
| Compound ID |
CP0415344
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| Compound Name |
3-[(3-carboxyphenyl)methyl]-6-(cyclopentylmethoxy)-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-4-oxoquinoline-2-carboxylic acid
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| Structure |
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| Formula |
C34H33NO8
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| Molecular Weight |
583.637
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| Canonical SMILES |
CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CCCC3)ccc12
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| InChI |
InChI=1S/C34H33NO8/c1-2-22-14-29-30(43-19-42-29)15-24(22)17-35-28-11-10-25(41-18-20-6-3-4-7-20)16-26(28)32(36)27(31(35)34(39)40)13-21-8-5-9-23(12-21)33(37)38/h5,8-12,14-16,20H,2-4,6-7,13,17-19H2,1H3,(H,37,38)(H,39,40)
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| InChIKey |
WXLDFOOIWYKOLI-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