General Information of the Compound
| Compound ID |
CP0573145
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| Compound Name |
1-Benzyl-3-(3-methoxy-phenylsulfanyl)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C23H19NO3S
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| Molecular Weight |
389.476
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| Canonical SMILES |
COc1cccc(Sc2c(C(O)=O)n(Cc3ccccc3)c3ccccc23)c1
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| InChI |
InChI=1S/C23H19NO3S/c1-27-17-10-7-11-18(14-17)28-22-19-12-5-6-13-20(19)24(21(22)23(25)26)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,26)
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| InChIKey |
PSDFJKFTKVCJJB-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