General Information of the Compound
| Compound ID |
CP0064410
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| Compound Name |
1-[2-(4-chlorophenoxy)ethyl]-4-(3-ethoxyphenyl)pyrrolo[3,2-c]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C24H21ClN2O4
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| Molecular Weight |
436.895
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| Canonical SMILES |
CCOc1cccc(c1)-c1nccc2n(CCOc3ccc(Cl)cc3)c(cc12)C(O)=O
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| InChI |
InChI=1S/C24H21ClN2O4/c1-2-30-19-5-3-4-16(14-19)23-20-15-22(24(28)29)27(21(20)10-11-26-23)12-13-31-18-8-6-17(25)7-9-18/h3-11,14-15H,2,12-13H2,1H3,(H,28,29)
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| InChIKey |
QBTLZXDENPTYFB-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