General Information of the Compound
| Compound ID |
CP0467553
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-1-benzo[1,3]dioxol-5-ylmethyl-6-propoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C27H23NO7
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| Molecular Weight |
473.481
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| Canonical SMILES |
CCCOc1ccc2c(c(C(O)=O)n(Cc3ccc4OCOc4c3)c2c1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H23NO7/c1-2-9-31-18-5-6-19-20(12-18)28(13-16-3-7-21-23(10-16)34-14-32-21)26(27(29)30)25(19)17-4-8-22-24(11-17)35-15-33-22/h3-8,10-12H,2,9,13-15H2,1H3,(H,29,30)
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| InChIKey |
OYUYFTQOLVQNJA-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