General Information of the Compound
| Compound ID |
CP0441190
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-5-chloro-1-phenyl-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C22H14ClNO4
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| Molecular Weight |
391.81
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| Canonical SMILES |
OC(=O)c1c(-c2ccc3OCOc3c2)c2cc(Cl)ccc2n1-c1ccccc1
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| InChI |
InChI=1S/C22H14ClNO4/c23-14-7-8-17-16(11-14)20(13-6-9-18-19(10-13)28-12-27-18)21(22(25)26)24(17)15-4-2-1-3-5-15/h1-11H,12H2,(H,25,26)
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| InChIKey |
PEKHHFMAPLLVON-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