General Information of the Compound
| Compound ID |
CP0381770
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| Compound Name |
1,3-Bis-benzo[1,3]dioxol-5-yl-5-propoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C26H21NO7
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| Molecular Weight |
459.454
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| Canonical SMILES |
CCCOc1ccc2n(c(C(O)=O)c(-c3ccc4OCOc4c3)c2c1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H21NO7/c1-2-9-30-17-5-6-19-18(12-17)24(15-3-7-20-22(10-15)33-13-31-20)25(26(28)29)27(19)16-4-8-21-23(11-16)34-14-32-21/h3-8,10-12H,2,9,13-14H2,1H3,(H,28,29)
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| InChIKey |
JNPFHSPAJLZJHE-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