General Information of the Compound
| Compound ID |
CP0404525
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| Compound Name |
1-Benzo[1,3]dioxol-5-yl-3-(3,4-dimethoxy-phenyl)-5-methoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C25H21NO7
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| Molecular Weight |
447.443
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| Canonical SMILES |
COc1ccc2n(c(C(O)=O)c(-c3ccc(OC)c(OC)c3)c2c1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H21NO7/c1-29-16-6-7-18-17(12-16)23(14-4-8-19(30-2)21(10-14)31-3)24(25(27)28)26(18)15-5-9-20-22(11-15)33-13-32-20/h4-12H,13H2,1-3H3,(H,27,28)
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| InChIKey |
SJNXUOVAWKQPAI-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