General Information of the Compound
| Compound ID |
CP0354293
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| Compound Name |
4-(3-ethoxyphenyl)-1-(2-phenoxyethyl)pyrrolo[3,2-c]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C24H22N2O4
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| Molecular Weight |
402.45
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| Canonical SMILES |
CCOc1cccc(c1)-c1nccc2n(CCOc3ccccc3)c(cc12)C(O)=O
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| InChI |
InChI=1S/C24H22N2O4/c1-2-29-19-10-6-7-17(15-19)23-20-16-22(24(27)28)26(21(20)11-12-25-23)13-14-30-18-8-4-3-5-9-18/h3-12,15-16H,2,13-14H2,1H3,(H,27,28)
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| InChIKey |
AUHGYKJMPIHTCI-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