General Information of the Compound
| Compound ID |
CP0529578
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| Compound Name |
2-[(2-ethyl-3-phenylbenzimidazol-5-yl)oxymethyl]quinoline
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| Structure |
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| Formula |
C25H21N3O
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| Molecular Weight |
379.463
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| Canonical SMILES |
CCc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1
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| InChI |
InChI=1S/C25H21N3O/c1-2-25-27-23-15-14-21(16-24(23)28(25)20-9-4-3-5-10-20)29-17-19-13-12-18-8-6-7-11-22(18)26-19/h3-16H,2,17H2,1H3
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| InChIKey |
ZXZNWBIQULCEDI-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