General Information of the Compound
| Compound ID |
CP0423209
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| Compound Name |
1-Benzo[1,3]dioxol-5-ylmethyl-3-(benzo[1,3]dioxol-5-ylsulfanyl)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C24H17NO6S
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| Molecular Weight |
447.468
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| Canonical SMILES |
OC(=O)c1c(Sc2ccc3OCOc3c2)c2ccccc2n1Cc1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H17NO6S/c26-24(27)22-23(32-15-6-8-19-21(10-15)31-13-29-19)16-3-1-2-4-17(16)25(22)11-14-5-7-18-20(9-14)30-12-28-18/h1-10H,11-13H2,(H,26,27)
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| InChIKey |
LTMNIPISSYOICK-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