General Information of the Compound
| Compound ID |
CP0404460
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-5-benzyloxy-1-(4-methoxy-benzyl)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C31H25NO6
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| Molecular Weight |
507.542
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| Canonical SMILES |
COc1ccc(Cn2c(C(O)=O)c(-c3ccc4OCOc4c3)c3cc(OCc4ccccc4)ccc23)cc1
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| InChI |
InChI=1S/C31H25NO6/c1-35-23-10-7-20(8-11-23)17-32-26-13-12-24(36-18-21-5-3-2-4-6-21)16-25(26)29(30(32)31(33)34)22-9-14-27-28(15-22)38-19-37-27/h2-16H,17-19H2,1H3,(H,33,34)
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| InChIKey |
GTEPOVNRRKKMRR-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