General Information of the Compound
| Compound ID |
CP0408801
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| Compound Name |
1-Benzo[1,3]dioxol-5-yl-5-methoxy-3-(4-methoxy-phenyl)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C24H19NO6
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| Molecular Weight |
417.417
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C(O)=O)n(-c2ccc3OCOc3c2)c2ccc(OC)cc12
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| InChI |
InChI=1S/C24H19NO6/c1-28-16-6-3-14(4-7-16)22-18-12-17(29-2)8-9-19(18)25(23(22)24(26)27)15-5-10-20-21(11-15)31-13-30-20/h3-12H,13H2,1-2H3,(H,26,27)
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| InChIKey |
ALNZRBOFBJCSQN-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