General Information of the Compound
| Compound ID |
CP0520417
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| Compound Name |
1,3-Bis-benzo[1,3]dioxol-5-yl-5-benzyloxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C30H21NO7
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| Molecular Weight |
507.498
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| Canonical SMILES |
OC(=O)c1c(-c2ccc3OCOc3c2)c2cc(OCc3ccccc3)ccc2n1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C30H21NO7/c32-30(33)29-28(19-6-10-24-26(12-19)37-16-35-24)22-14-21(34-15-18-4-2-1-3-5-18)8-9-23(22)31(29)20-7-11-25-27(13-20)38-17-36-25/h1-14H,15-17H2,(H,32,33)
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| InChIKey |
XJEFQVHNUODKBN-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