General Information of the Compound
| Compound ID |
CP0958736
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| Compound Name |
2-((2-Chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]-pyridine-7-carboxylic Acid
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| Synonyms |
2-[(2-chlorophenyl)-propoxy- methyl]-1H-pyrrolo[3,2-b]- pyridine-7-carboxylic acid
BDBM320423
CHEMBL4100530
NCGC00381656-01
SCHEMBL16157407
US10174026, Example 88
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| Structure |
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| Formula |
C18H17ClN2O3
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| Molecular Weight |
344.798
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| Canonical SMILES |
CCCOC(c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl
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| InChI |
InChI=1S/C18H17ClN2O3/c1-2-9-24-17(11-5-3-4-6-13(11)19)15-10-14-16(21-15)12(18(22)23)7-8-20-14/h3-8,10,17,21H,2,9H2,1H3,(H,22,23)
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| InChIKey |
NXCXDWJNFKFGCO-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
Clinical Information about the Compound