General Information of the Compound
| Compound ID |
CP0492961
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| Compound Name |
3-Benzo[1,3]dioxol-5-yl-6-methoxy-1-phenyl-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C23H17NO5
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| Molecular Weight |
387.391
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| Canonical SMILES |
COc1ccc2c(c(C(O)=O)n(-c3ccccc3)c2c1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H17NO5/c1-27-16-8-9-17-18(12-16)24(15-5-3-2-4-6-15)22(23(25)26)21(17)14-7-10-19-20(11-14)29-13-28-19/h2-12H,13H2,1H3,(H,25,26)
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| InChIKey |
BLTDJTIBJOLYTK-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